SCHEMBL5018909

SCHEMBL5018909

CC(C)Cc1ccc2c(c1)OCCO2

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.59
SLC6A4 P31645 3/20 0.59
SLC6A2 P23975 2/20 0.59
SLC6A3 Q01959 2/20 0.59
CYP2D6 P10635 3/20 0.56
TRPV1 Q8NER1 1/20 0.51
CYP3A4 P08684 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
GAA P10253 2/20 0.46
HPGD P15428 1/20 0.46
MAPT P10636 1/20 0.46
ATM Q13315 1/20 0.46

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
SCHEMBL12775573 0.93 TAAR1 (0.56) TAAR1SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL25821224 0.90 SMN1; SMN2 (0.53) TAAR1SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL104467 0.89 TAAR1 (0.74) TAAR1SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL14199081 0.85 TAAR1 (0.56) TAAR1SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL22885190 0.85 TAAR1 (0.81) TAAR1SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL3841679 0.85 TAAR1 (0.81) TAAR1SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL98038 0.85 TAAR1 (0.56) TAAR1SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL19969484 0.85 TAAR1 (0.56) TAAR1SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL18132989 0.82 CYP3A4 (0.57) TAAR1SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL2780037 0.82 TAAR1 (0.82) TAAR1SLC6A4SLC6A2SLC6A3CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239821-A1 N-ACYL FOSMIDOMYCIN PRODRUG ANALOGS AS NOVEL ANTIINFECTIVE AGENTS THE GEORGE WASHINGTON UNIVERSITY 2024-07-18 US disclosed
US-12024500-B2 Five-membered ring-substituted pyridazinol compounds and derivatives, preparation methods, herbicidal compositions and applications thereof QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2024-07-02 US disclosed
US-20240208923-A1 SMALL MOLECULE INHIBITORS OF MAMMALIAN SLC6A19 FUNCTION JNANA THERAPEUTICS INC. 2024-06-27 US disclosed
US-11858931-B2 Amino acid compounds with unbranched linkers and methods of use PLIANT THERAPEUTICS, INC. (US) 2024-01-02 US disclosed
US-11858931-B2 Amino acid compounds with unbranched linkers and methods of use PLIANT THERAPEUTICS, INC. (US) 2024-01-02 US disclosed
US-11839679-B2 Gamma-diketones for treatment and prevention of aging skin and wrinkles BIOSPLICE THERAPEUTICS, INC. (US) 2023-12-12 US disclosed
US-11834447-B2 Indole derivatives and use thereof PURDUE PHARMA L.P. (US) 2023-12-05 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-11787768-B2 Tetrahydroquinoline-based bromodomain inhibitors ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2023-10-17 US disclosed
WO-2023192669-A1 T-TYPE CALCIUM CHANNEL MODULATORS COMPRISING A PIPERAZINE OR 1,4-DIAZEPANE CORE AND METHODS OF USE THEREOF PRAXIS PRECISION MEDICINES, INC. (US) 2023-10-05 WO disclosed
US-20080021024-A1 Metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-01-24 US disclosed
WO-2007139856-A2 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS, INC. (US) 2007-12-06 WO disclosed
US-20070155739-A1 Substituted bis-amide metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155737-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070117797-A1 Alkylamino, arylamino, and sulfonamido cyclopentyl amide modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. 2007-05-24 US disclosed
US-20070082908-A1 Bicycle pyrazole derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-12 US disclosed
US-20070082908-A1 Bicycle pyrazole derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-12 US disclosed
WO-2006128184-A2 PYRIMIDINE OR TRIAZINE FUSED BICYCLIC METALLOPROTEASE INHIBITORS ALANTOS-PHARMACEUTICALS, INC. (US) 2006-11-30 WO 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 (14 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-12024500-B2 Five-membered ring-substituted pyridazinol compounds and derivatives, preparation methods, herbicidal compositions and applications thereof DDT, CYP3A5, CYP4B1 TAAR1 2699/4885SLC6A4 2047/4885SLC6A2 2991/4885
US-20070155737-A1 Heterobicyclic metalloprotease inhibitors ADAMTS4, ADAMTS1, ADAMTS5 TAAR1 4276/4885SLC6A4 794/4885SLC6A2 4435/4885
US-20070117797-A1 Alkylamino, arylamino, and sulfonamido cyclopentyl amide modulators of chemokine receptor activity CCR7, ACKR3, CCR2 TAAR1 195/4885SLC6A4 3148/4885SLC6A2 4544/4885
US-11787813-B2 Substituted pyrazolopyrimidines and substituted purines and their use as ubiquitin-specific-processing protease 1 (USP1) inhibitors USP1, UPP1, USP2 TAAR1 3135/4885SLC6A4 2799/4885SLC6A2 3988/4885
US-11834447-B2 Indole derivatives and use thereof TRPC4, TRPV4, TRPV1 TAAR1 359/4885SLC6A4 8/4885SLC6A2 164/4885
US-20240208923-A1 SMALL MOLECULE INHIBITORS OF MAMMALIAN SLC6A19 FUNCTION SLC18A2, SLC6A19, SLC1A1 TAAR1 2735/4885SLC6A4 16/4885SLC6A2 17/4885
US-11839679-B2 Gamma-diketones for treatment and prevention of aging skin and wrinkles DGKG, DGKA, DNER TAAR1 3457/4885SLC6A4 4206/4885SLC6A2 4176/4885
US-20070082908-A1 Bicycle pyrazole derivative DPP4, DPP7, DPP3 TAAR1 1381/4885SLC6A4 419/4885SLC6A2 1287/4885
US-11787768-B2 Tetrahydroquinoline-based bromodomain inhibitors BRDT, BRD4, BRD3 TAAR1 2157/4885SLC6A4 4365/4885SLC6A2 4229/4885
US-11858931-B2 Amino acid compounds with unbranched linkers and methods of use ITGA2B, ITGB6, ITGB1 TAAR1 2182/4885SLC6A4 2163/4885SLC6A2 1587/4885
US-20070155739-A1 Substituted bis-amide metalloprotease inhibitors MMP13, MMP9, ADAMTS13 TAAR1 3568/4885SLC6A4 3163/4885SLC6A2 3617/4885
US-20080021024-A1 Metalloprotease inhibitors MMP2, MMP9, MMP3 TAAR1 3108/4885SLC6A4 2429/4885SLC6A2 2911/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 TAAR1 4581/4885SLC6A4 3048/4885SLC6A2 4018/4885
US-20240239821-A1 N-ACYL FOSMIDOMYCIN PRODRUG ANALOGS AS NOVEL ANTIINFECTIVE AGENTS PSPH, PGLS, DNPEP TAAR1 4702/4885SLC6A4 3616/4885SLC6A2 3632/4885

“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.