SCHEMBL161774

SCHEMBL161774

CCOc1cc[c]cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.46
KDM1A O60341 2/20 0.39
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 3/20 0.35
HTT P42858 2/20 0.35
NQO1 P15559 1/20 0.34
MAPK1 P28482 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
TUBB1 Q9H4B7 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 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
SCHEMBL8405940 0.85 L3MBTL1 (0.34) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL162033 0.85 L3MBTL1 (0.40) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL160145 0.84 L3MBTL1 (0.46) L3MBTL1KDM1ACYP1A2CYP2D6CYP2C19
SCHEMBL160012 0.83 L3MBTL1 (0.42) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL27501834 0.82 L3MBTL1 (0.45) L3MBTL1CYP1A2CYP2C19TDP1ALDH1A1
SCHEMBL5684849 0.82 L3MBTL1 (0.32) L3MBTL1TDP1
SCHEMBL127280 0.81 ALDH1A1 (0.39) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL28367075 0.81 TDP1 (0.33) L3MBTL1TDP1
SCHEMBL9699861 0.80 L3MBTL1 (0.44) L3MBTL1TDP1ALDH1A1MAPTHPGD
SCHEMBL1228883 0.80 L3MBTL1 (0.44) L3MBTL1TDP1ALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024073283-A1 HETEROCYCLES AS MODULATORS OF NSD ACTIVITY BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2024-04-04 WO claimed
CN-108174603-B 1-heteroaryl-indoline-4-carboxamides as GPR52 modulators 阿芮纳制药有限公司 2021-07-02 CN claimed
US-11008302-B2 Substituted pyridine and pyrimidines and their use as GluN2B receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2021-05-18 US claimed
EP-3774732-A2 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS Janssen Pharmaceutica NV (BE) 2021-02-17 EP claimed
US-10772874-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. 2020-09-15 US claimed
EP-3292114-B1 1-HETEROARYL-INDOLINE-4-CARBOXAMIDES AS MODULATORS OF GPR52 USEFUL FOR THE TREATMENT OR PREVENTION OF DISORDERS RELATED THERETO ARENA PHARM INC (US) 2020-03-11 EP claimed
WO-2019193516-A2 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2019-10-10 WO claimed
US-20190308950-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2019-10-10 US claimed
US-10272072-B2 Compounds and compositions for the inhibition of NAMPT FORMA TM, LLC (US) 2019-04-30 US claimed
EP-3292114-A1 1-HETEROARYL-INDOLINE-4-CARBOXAMIDES AS MODULATORS OF GPR52 USEFUL FOR THE TREATMENT OR PREVENTION OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2018-03-14 EP claimed
EP-0888340-B1 4-(BENZO-1,3-DIOXOLYL)-PYRROLIDINE-3-CARBOXYLIC ACID DERIVATIVES AS ENDOTHELIN ANTAGONISTS ABBOTT LAB (US) 2002-07-17 EP claimed
US-6124341-A A DRUG FOR TREATING HYPERTENSION, CONGESTIVE HEART FAILURE, RESTENOSIS FOLLOWING ARTERIAL INJURY, CEREBRAL OR MYOCARDIAL ISCHEMIA OR ATHEROSCLEROSIS; VASODILUTOR ABBOTT LABORATORIES (US) 2000-09-26 US claimed
EP-1003740-A2 PYRROLIDINE-3-CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGOISTS Abbott Laboratories (US) 2000-05-31 EP claimed
EP-0991620-A1 PYRROLIDINE CARBOXYLIC ACID DERIVATIVES AS ENDOTHELIN ANTAGONISTS Abbott Laboratories (US) 2000-04-12 EP claimed
WO-1999006397-A2 PYRROLIDINE-3-CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS ABBOTT LABORATORIES (US) 1999-02-11 WO claimed
EP-0888340-A1 4-(BENZO-1,3-DIOXOLYL)-PYRROLIDINE-3-CARBOXYLIC ACID DERIVATIVES AS ENDOTHELIN ANTAGONISTS Abbott Laboratories (US) 1999-01-07 EP claimed
EP-0885215-A1 NOVEL BENZO-1,3-DIOXOLYL- AND BENZOFURANYL SUBSTITUTED PYRROLIDINE DERIVATIVES AS ENDOTHELIN ANTAGONISTS Abbott Laboratories (US) 1998-12-23 EP claimed
WO-1998057933-A1 PYRROLIDINE CARBOXYLIC ACID DERIVATIVES AS ENDOTHELIN ANTAGONISTS ABBOTT LABORATORIES (US) 1998-12-23 WO claimed
WO-1997030045-A1 NOVEL BENZO-1,3-DIOXOLYL- AND BENZOFURANYL SUBSTITUTED PYRROLIDINE DERIVATIVES AS ENDOTHELIN ANTAGONISTS ABBOTT LABORATORIES (US) 1997-08-21 WO claimed
WO-1997030046-A1 4-(BENZO-1,3-DIOXOLYL)-PYRROLIDINE-3-CARBOXYLIC ACID DERIVATIVES AS ENDOTHELIN ANTAGONISTS ABBOTT LABORATORIES (US) 1997-08-21 WO claimed

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

For each of this compound's patents that has machine-readable text (4 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-20190308950-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN3B L3MBTL1 4791/4885KDM1A 3015/4885CYP1A2 2057/4885
US-10772874-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 L3MBTL1 2990/4885KDM1A 1507/4885CYP1A2 1024/4885
US-10272072-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 L3MBTL1 2990/4885KDM1A 1507/4885CYP1A2 1024/4885
US-11008302-B2 Substituted pyridine and pyrimidines and their use as GluN2B receptor modulators GRIN2B, GRIN2A, GRIN3B L3MBTL1 4766/4885KDM1A 3163/4885CYP1A2 2343/4885

“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.