SCHEMBL1106138

SCHEMBL1106138

CC(C)c1ncccc1C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ IDH1 O75874 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ CXCR4 P61073 1/20 0.36
▸ GABRA1 P14867 1/20 0.33
▸ GABRB2 P47870 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TRPM8 Q7Z2W7 1/20 0.33
▸ P2RY1 P47900 5/20 0.33
▸ PLCG1 P19174 1/20 0.33
▸ PDK2 Q15119 1/20 0.33
▸ NISCH Q9Y2I1 1/20 0.32
▸ NOS3 P29474 1/20 0.31
▸ NOS1 P29475 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24453275 0.83 IDH1 (0.38) CA2ALDH1A1TDP1IDH1TSHR
SCHEMBL21166194 0.83 ALDH1A1 (0.40) CA2ALDH1A1TDP1IDH1TSHR
SCHEMBL27305756 0.83 TRPM8 (0.37) CXCR4TRPM8PLCG1PDK2
SCHEMBL23342410 0.83 PLCG1 (0.35) CA2ALDH1A1TDP1IDH1TSHR
SCHEMBL19935537 0.83 TDP1 (0.35) CA2ALDH1A1TDP1IDH1TSHR
SCHEMBL4547925 0.81 TRPM8 (0.47) CXCR4TRPM8
SCHEMBL13180334 0.80 PLCG1 (0.36) ALDH1A1TRPM8PLCG1
SCHEMBL20193840 0.77 CYP1A2 (0.32) —
SCHEMBL25144085 0.75 — —
SCHEMBL24611378 0.75 PSMD14 (0.46) ALDH1A1TDP1TSHRGABRA1GABRB2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 59 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4328229-A2 SUBSTITUTED HETEROCYCLIC FUSED CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF Genfleet Therapeutics (Shanghai) Inc. (CN) 2024-02-28 — — EP disclosed
US-20240025924-A1 HETEROCYCLE SUBSTITUTED KETONE DERIVATIVE, AND COMPOSITION AND MEDICINAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2024-01-25 — — US disclosed
US-20240025924-A1 HETEROCYCLE SUBSTITUTED KETONE DERIVATIVE, AND COMPOSITION AND MEDICINAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2024-01-25 — — US disclosed
US-20230348508-A1 METAL COMPLEX, ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME, AND CONSUMER PRODUCT BEIJING BAYI SPACE LIQUID CRYSTAL TECHNOLOGY CO. LTD. (CN) 2023-11-02 — — US disclosed
US-20230348508-A1 METAL COMPLEX, ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME, AND CONSUMER PRODUCT BEIJING BAYI SPACE LIQUID CRYSTAL TECHNOLOGY CO. LTD. (CN) 2023-11-02 — — US disclosed
US-11787813-B2 Substituted pyrazolopyrimidines and substituted purines and their use as ubiquitin-specific-processing protease 1 (USP1) inhibitors KSQ Therapeutics, Inc. (US) 2023-10-17 — — US disclosed
US-11787813-B2 Substituted pyrazolopyrimidines and substituted purines and their use as ubiquitin-specific-processing protease 1 (USP1) inhibitors KSQ Therapeutics, Inc. (US) 2023-10-17 — — US disclosed
US-20230295163-A1 TETRACYCLIC DERIVATIVE, METHOD FOR PREPARING SAME AND USE THEREOF IN MEDICINE ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2023-09-21 — — US disclosed
US-11739074-B2 Ras inhibitors Revolution Medicines, Inc. (US) 2023-08-29 — — US disclosed
US-20230233569-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2023-07-27 — — US disclosed
US-8329718-B2 N-linked heterocyclic antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-11 — — US disclosed
US-20120157403-A1 BICYCLIC AND TRICYCLIC DERIVATIVES AS THROMBIN RECEPTOR ANTAGONISTS CHACKALAMANNIL SAMUEL (US) 2012-06-21 — — US disclosed
US-8153664-B2 thrombosis, atherosclerosis, restenosis, hypertension, angina pectoris, arrhythmia, heart failures and cancer SCHERING CORPORATION (US) 2012-04-10 — — US disclosed
US-20110269780-A1 AZA-BENZIMIDAZOLONE CHYMASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-03 — — US disclosed
US-20100234364-A1 CCR2 INHIBITORS AND METHODS OF USE THEREOF CHEMOCENTRYX, INC. 2010-09-16 — — US disclosed
US-20100197716-A1 N-LINKED HETEROCYCLIC ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2010-08-05 — — US disclosed
US-20090247560-A1 Diaryl ketimine derivative BANYU PHARMACEUTICAL CO., LTD. 2009-10-01 — — US disclosed
US-7388021-B2 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL MYERS SQUIBB COMPANY (US) 2008-06-17 — — US disclosed
US-20080090830-A1 Bicyclic And Tricyclic Derivatives As Thrombin Receptor Antagonists SCHERING CORPORATION 2008-04-17 — — US disclosed
US-20070015758-A1 Novel benzylamine derivatives and their utility as cholesterol ester-transfer protein inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2007-01-18 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080090830-A1 Bicyclic And Tricyclic Derivatives As Thrombin Receptor Antagonists EDNRB, TBXA2R, BDKRB1 CA2 2673/4885ALDH1A1 4470/4885TDP1 2511/4885
US-20240025924-A1 HETEROCYCLE SUBSTITUTED KETONE DERIVATIVE, AND COMPOSITION AND MEDICINAL USE THEREOF BCKDK, CYP11B2, HSD17B7 CA2 2818/4885ALDH1A1 348/4885TDP1 3632/4885
US-11787813-B2 Substituted pyrazolopyrimidines and substituted purines and their use as ubiquitin-specific-processing protease 1 (USP1) inhibitors USP1, UPP1, USP2 CA2 4388/4885ALDH1A1 598/4885TDP1 217/4885
US-11739074-B2 Ras inhibitors KRAS, NRAS, HRAS CA2 3772/4885ALDH1A1 3951/4885TDP1 3897/4885
US-20230295163-A1 TETRACYCLIC DERIVATIVE, METHOD FOR PREPARING SAME AND USE THEREOF IN MEDICINE KRAS, NRAS, RHOA CA2 755/4885ALDH1A1 3353/4885TDP1 3593/4885
US-20100234364-A1 CCR2 INHIBITORS AND METHODS OF USE THEREOF CCR2, CCR9, CCR1 CA2 2530/4885ALDH1A1 1572/4885TDP1 4827/4885
US-20100197716-A1 N-LINKED HETEROCYCLIC ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS P2RY1, P2RY11, P2RY13 CA2 2932/4885ALDH1A1 2613/4885TDP1 875/4885
US-20070015758-A1 Novel benzylamine derivatives and their utility as cholesterol ester-transfer protein inhibitors CETP, NPC1, DBI CA2 4852/4885ALDH1A1 3986/4885TDP1 2110/4885
US-20230233569-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS KRAS, HRAS, MTOR CA2 3441/4885ALDH1A1 4528/4885TDP1 3055/4885
US-20110269780-A1 AZA-BENZIMIDAZOLONE CHYMASE INHIBITORS CMA1, CPA3, SERPINB1 CA2 571/4885ALDH1A1 628/4885TDP1 1068/4885
US-20120157403-A1 BICYCLIC AND TRICYCLIC DERIVATIVES AS THROMBIN RECEPTOR ANTAGONISTS EDNRB, TBXA2R, BDKRB1 CA2 2588/4885ALDH1A1 4530/4885TDP1 2684/4885
US-20090247560-A1 Diaryl ketimine derivative NR0B2, NR2C2, NR3C2 CA2 2275/4885ALDH1A1 872/4885TDP1 4430/4885
US-20230348508-A1 METAL COMPLEX, ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME, AND CONSUMER PRODUCT TRPM5, TRPM6, TRPM2 CA2 499/4885ALDH1A1 1357/4885TDP1 4109/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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