SCHEMBL6439643

SCHEMBL6439643

CCc1ncccc1C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.41
P2RY1 P47900 2/20 0.39
CA2 P00918 1/20 0.37
ALDH1A1 P00352 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TSHR P16473 1/20 0.35
NISCH Q9Y2I1 1/20 0.34
ALOX5 P09917 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL1132774 0.84 TDP1 (0.35) CXCR4P2RY1ALDH1A1L3MBTL1TDP1
SCHEMBL25911810 0.84 SSTR4 (0.36) CXCR4P2RY1ALDH1A1L3MBTL1SSTR4
SCHEMBL803061 0.82 ALDH1A1 (0.53) CXCR4P2RY1CA2ALDH1A1L3MBTL1
SCHEMBL9947018 0.82 EPHX2 (0.44) CXCR4SSTR4
SCHEMBL23428749 0.81 ALDH1A1 (0.36) CXCR4P2RY1ALDH1A1L3MBTL1TDP1
SCHEMBL25696466 0.79 CXCR4 (0.39) CXCR4P2RY1CA2ALDH1A1L3MBTL1
SCHEMBL13050672 0.79 SSTR4 (0.40) CXCR4P2RY1CA2ALDH1A1L3MBTL1
SCHEMBL231343 0.76 CA2 (0.41) P2RY1CA2ALDH1A1L3MBTL1TDP1
Ammonia Solution, Strong SCHEMBL28823003 0.74 CA2 (0.39) P2RY1CA2ALDH1A1L3MBTL1TDP1
SCHEMBL29219470 0.73 NOS3 (0.37) PDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11905252-B2 Compounds INFLAZOME LIMITED (IE) 2024-02-20 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-20230371360-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-11-16 US disclosed
US-20230371358-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-11-16 US disclosed
US-20230365606-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-11-16 US disclosed
US-20230357296-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-11-09 US disclosed
US-20230345812-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-10-26 US disclosed
US-20230337523-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-10-19 US disclosed
US-20230322724-A1 HETEROCYCLIC COMPOUNDS AS CBP/EP300 BROMODOMAIN INHIBITORS AURIGENE ONCOLOGY LIMITED (IN) 2023-10-12 US disclosed
US-20230303602-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-09-28 US disclosed
US-7728008-B2 N-linked heterocyclic antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-01 US disclosed
US-7678926-B2 Indole derivatives as selective androgen receptor modulators (SARMS) JANSSEN PHARMACEUTICA NV (BE) 2010-03-16 US disclosed
US-20090270412-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2009-10-29 US disclosed
US-20090197889-A1 SYNTHESIS AND ANTI-PROLIFERATIVE EFFECT OF BENZIMIDAZOLE DERIVATIVES SPELMAN COLLEGE (US) 2009-08-06 US disclosed
US-7550499-B2 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-23 US disclosed
US-20080090830-A1 Bicyclic And Tricyclic Derivatives As Thrombin Receptor Antagonists SCHERING CORPORATION 2008-04-17 US disclosed
US-20080070970-A1 NOVEL INDOLE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) LANTER JAMES C 2008-03-20 US disclosed
US-7288553-B2 Indole derivatives as selective androgen receptor modulator (SARMS) JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-30 US disclosed
US-7282507-B2 Indole derivatives as selective androgen receptor modulators (SARMS) JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-16 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 (15 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-11905252-B2 Compounds NLRP3, NOD1, PYCARD CXCR4 622/4885P2RY1 33/4885CA2 1955/4885
US-20080090830-A1 Bicyclic And Tricyclic Derivatives As Thrombin Receptor Antagonists EDNRB, TBXA2R, BDKRB1 CXCR4 376/4885P2RY1 2452/4885CA2 2673/4885
US-20240025924-A1 HETEROCYCLE SUBSTITUTED KETONE DERIVATIVE, AND COMPOSITION AND MEDICINAL USE THEREOF BCKDK, CYP11B2, HSD17B7 CXCR4 1324/4885P2RY1 2940/4885CA2 2818/4885
US-20230322724-A1 HETEROCYCLIC COMPOUNDS AS CBP/EP300 BROMODOMAIN INHIBITORS EP300, HDAC1, BRD3 CXCR4 1029/4885P2RY1 3586/4885CA2 4022/4885
US-20230345812-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD1, OPRD1, OCIAD2 CXCR4 300/4885P2RY1 974/4885CA2 1946/4885
US-20230371360-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES CHRM1, L1CAM, SOD1 CXCR4 79/4885P2RY1 1851/4885CA2 3651/4885
US-20230357296-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OPRD1, OXER1, LBR CXCR4 127/4885P2RY1 1009/4885CA2 2821/4885
US-20090270412-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C CXCR4 2141/4885P2RY1 123/4885CA2 3625/4885
US-20090197889-A1 SYNTHESIS AND ANTI-PROLIFERATIVE EFFECT OF BENZIMIDAZOLE DERIVATIVES MKI67, PCNA, CCNI CXCR4 2429/4885P2RY1 1127/4885CA2 2908/4885
US-20230337523-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES LBR, OCIAD1, OCIAD2 CXCR4 941/4885P2RY1 2284/4885CA2 2932/4885
US-20070015758-A1 Novel benzylamine derivatives and their utility as cholesterol ester-transfer protein inhibitors CETP, NPC1, DBI CXCR4 2313/4885P2RY1 4774/4885CA2 4852/4885
US-20230303602-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD2, OCIAD1, ODC1 CXCR4 382/4885P2RY1 1797/4885CA2 4031/4885
US-20080070970-A1 NOVEL INDOLE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) AR, NR5A1, NR5A2 CXCR4 2956/4885P2RY1 2718/4885CA2 4458/4885
US-20230371358-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES LIFR, SOD1, ROS1 CXCR4 1201/4885P2RY1 3058/4885CA2 3295/4885
US-20230365606-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OXER1, OPRD1, OXSR1 CXCR4 219/4885P2RY1 1917/4885CA2 3314/4885

“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.