SCHEMBL14817554

SCHEMBL14817554

CNC(=O)CC(=O)N1CCN(C)c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.48
GPBAR1 Q8TDU6 3/20 0.42
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
TSHR P16473 1/20 0.40
NOTUM Q6P988 1/20 0.39
BRD4 O60885 1/20 0.38
HSD11B1 P28845 1/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
AVPR1A P37288 1/20 0.38
HSD17B10 Q99714 1/20 0.37
POLB P06746 3/20 0.37
ALDH1A1 P00352 3/20 0.37

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
SCHEMBL2605814 0.85 CNR2 (0.46) CNR2GPBAR1CYP1A2CYP3A4CYP2D6
SCHEMBL306880 0.84 CNR2 (0.50) CNR2GPBAR1CYP1A2CYP3A4CYP2D6
SCHEMBL10258658 0.84 CNR2 (0.45) CNR2GPBAR1CYP1A2CYP3A4CYP2D6
SCHEMBL12284892 0.83 CNR2 (0.49) CNR2GPBAR1CYP1A2CYP3A4CYP2D6
SCHEMBL14045141 0.81 CNR2 (0.42) CNR2GPBAR1CYP1A2CYP3A4CYP2D6
SCHEMBL171481 0.79 CNR2 (0.46) CNR2GPBAR1CYP1A2CYP3A4CYP2D6
SCHEMBL14817503 0.79 TSHR (0.67) CYP3A4TSHRNOTUMMAPTMEN1
SCHEMBL4401076 0.77 NOTUM (0.61) TSHRNOTUMMEN1KMT2APOLB
SCHEMBL14817506 0.75 NOTUM (0.62) CYP3A4CYP2C19NOTUMMAPTPOLB
SCHEMBL9607910 0.75 NOTUM (0.58) CNR2CYP2D6CYP2C9NOTUMBRD4

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2426108-B1 Processes and intermediates for preparing fused heterocyclic kinase inhibitors METHYLGENE INC (CA) 2016-08-10 EP disclosed
US-9018378-B2 Processes and intermediates for preparing fused heterocyclic kinase inhibitors METHYLGENE INC. (CA) 2015-04-28 US disclosed
US-8906852-B2 Inhibitors of protein tyrosine kinase activity METHYLGENE INC. (CA) 2014-12-09 US disclosed
US-8907091-B2 Processes and intermediates for preparing fused heterocyclic kinase inhibitors METHYLGENE INC. (CA) 2014-12-09 US disclosed
US-20140315801-A1 METHODS OF TREATMENT OF CELL PROLIFERATIVE AND/OR OPHTHALMIC DISEASES, DISORDERS AND CONDITIONS USING INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC (CA) 2014-10-23 US disclosed
US-8846927-B2 Inhibitors of protein tyrosine kinase activity METHYLGENE INC. (CA) 2014-09-30 US disclosed
US-8569503-B2 Processes and intermediates for preparing fused heterocyclic kinase inhibitors METHYLGENE INC. (CA) 2013-10-29 US disclosed
US-20130165477-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC. (CA) 2013-06-27 US disclosed
US-20130096088-A1 Inhibitors of Protein Tyrosine Kinase Activity METHYLGENE INC. (CA) 2013-04-18 US disclosed
US-8404846-B2 Inhibitors of protein tyrosine kinase activity METHYLGENE INC. (CA) 2013-03-26 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 (3 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-20130165477-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY HGF, ERBB2, MET CNR2 3721/4885GPBAR1 1520/4885CYP1A2 4345/4885
US-20130096088-A1 Inhibitors of Protein Tyrosine Kinase Activity KDR, FLT1, FLT4 CNR2 3972/4885GPBAR1 2201/4885CYP1A2 4590/4885
US-20140315801-A1 METHODS OF TREATMENT OF CELL PROLIFERATIVE AND/OR OPHTHALMIC DISEASES, DISORDERS AND CONDITIONS USING INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY FLT1, KDR, FLT4 CNR2 1596/4885GPBAR1 1683/4885CYP1A2 4719/4885

“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.