SCHEMBL8368741

SCHEMBL8368741

CNC(=O)NC1CCOC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
HPGDS O60760 1/20 0.36
NAMPT P43490 3/20 0.36
EPHX1 P07099 5/20 0.35
EPHX2 P34913 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPK1 P28482 2/20 0.35
MTNR1A P48039 2/20 0.35
MTNR1B P49286 2/20 0.35
BRD4 O60885 1/20 0.34
CXCR2 P25025 1/20 0.34

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
SCHEMBL12800866 0.88 EPHX1 (0.43) NPC1RAB9AEPHX1EPHX2SMN1; SMN2
SCHEMBL10757362 0.83 CHRM4 (0.34) CHRM4NPC1RAB9AHPGDSNAMPT
SCHEMBL12285880 0.79 EPHX1 (0.44) NPC1RAB9AEPHX1EPHX2SMN1; SMN2
SCHEMBL12409239 0.79
SCHEMBL12331137 0.79
SCHEMBL12332204 0.79
SCHEMBL17518521 0.78 EPHX1 (0.65) NPC1RAB9AEPHX1EPHX2SMN1; SMN2
SCHEMBL23795106 0.78 HPGDS (0.43) CHRM4NPC1RAB9AHPGDSNAMPT
SCHEMBL23795155 0.78 HPGDS (0.43) CHRM4NPC1RAB9AHPGDSNAMPT
SCHEMBL12068291 0.78 HPGDS (0.43) CHRM4NPC1RAB9AHPGDSNAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022261524-A1 HETEROARYL COMPOUNDS AS INHIBITORS OF TYK2, COMPOSITION AND APPLICATION THEREOF ACCRO BIOSCIENCE (HK) LIMITED (CN) 2022-12-15 WO disclosed
EP-2809652-B1 ISOQUINOLINE AND NAPHTHYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2019-05-15 EP disclosed
US-8906852-B2 Inhibitors of protein tyrosine kinase activity 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-20140179632-A1 METHODS OF INHIBITING PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC. (CA) 2014-06-26 US disclosed
US-8759522-B2 Inhibitors of protein tyrosine kinase activity METHYLGENE INC. (CA) 2014-06-24 US disclosed
US-8729268-B2 Inhibitors of protein tyrosine kinase activity METHYLGENE INC. (CA) 2014-05-20 US disclosed
US-20130096088-A1 Inhibitors of Protein Tyrosine Kinase Activity METHYLGENE INC. (CA) 2013-04-18 US disclosed
US-20110257100-A1 Inhibitors of Protein Tyrosine Kinase Activity METHYLGENE INC. (CA) 2011-10-20 US disclosed
US-20110077240-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC. (CA) 2011-03-31 US disclosed
US-20100331305-A1 OXO-HETEROCYCLE FUSED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2010-12-30 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 (6 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-20140179632-A1 METHODS OF INHIBITING PROTEIN TYROSINE KINASE ACTIVITY PTK2B, PRKACA, DSTYK CHRM4 4716/4885NPC1 4018/4885RAB9A 1569/4885
US-20100331305-A1 OXO-HETEROCYCLE FUSED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE MTOR, PIK3CA, RICTOR CHRM4 4694/4885NPC1 2355/4885RAB9A 1277/4885
US-20110257100-A1 Inhibitors of Protein Tyrosine Kinase Activity ERBB2, ABL1, FLT1 CHRM4 4862/4885NPC1 3881/4885RAB9A 1829/4885
US-20130096088-A1 Inhibitors of Protein Tyrosine Kinase Activity KDR, FLT1, FLT4 CHRM4 4830/4885NPC1 4547/4885RAB9A 1427/4885
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 CHRM4 4791/4885NPC1 3015/4885RAB9A 1805/4885
US-20110077240-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY ABL1, ERBB2, TYRO3 CHRM4 4810/4885NPC1 3651/4885RAB9A 2229/4885

“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.