SCHEMBL2379866

SCHEMBL2379866

COc1ccc(NC(=O)CC2CCC(c3ccccc3)(N(C)C)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.61
EP300 Q09472 1/20 0.55
NCOA1 Q15788 1/20 0.55
NCOA3 Q9Y6Q9 1/20 0.55
OPRM1 P35372 7/20 0.53
OPRL1 P41146 7/20 0.53
MAPT P10636 3/20 0.49
ALDH1A1 P00352 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
TP53 P04637 1/20 0.47
NPC1 O15118 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
GPR183 P32249 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
Hydrochloric Acid SCHEMBL2379632 0.99 EPHX2 (0.60) EPHX2EP300NCOA1NCOA3OPRM1
Hydrochloric Acid SCHEMBL303485 0.90 EPHX2 (0.50) EPHX2EP300NCOA1NCOA3OPRM1
SCHEMBL2380189 0.90 EPHX2 (0.59) EPHX2OPRM1OPRL1NPC1
Hydrochloric Acid SCHEMBL2381053 0.88 EPHX2 (0.58) EPHX2OPRM1OPRL1
SCHEMBL2378584 0.87 EPHX2 (0.51) EPHX2OPRM1OPRL1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL2379144 0.86 OPRL1 (0.53) EPHX2OPRM1OPRL1RAB9AKMT2A
SCHEMBL2378805 0.86 OPRL1 (0.50) EPHX2OPRM1OPRL1RAB9AKMT2A
Hydrochloric Acid SCHEMBL2381058 0.85 OPRL1 (0.52) EPHX2OPRM1OPRL1RAB9AKMT2A
Water SCHEMBL3364666 0.80 OPRM1 (0.50) EP300NCOA1NCOA3OPRM1OPRL1
SCHEMBL2379490 0.80 OPRL1 (0.54) OPRM1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1751093-B1 SUBSTITUTED CYCLOHEXYLACETIC ACID DERIVATIVES GRUENENTHAL GMBH (DE) 2010-10-06 EP claimed
US-8017630-B2 Cyclohexylacetic acid compounds GRUENENTHAL GMBH (DE) 2011-09-13 US disclosed
EP-1751093-B1 SUBSTITUTED CYCLOHEXYLACETIC ACID DERIVATIVES GRUENENTHAL GMBH (DE) 2010-10-06 EP disclosed
US-20070129347-A1 Cyclohexylacetic acid compounds GRUENENTHAL GMBH (DE) 2007-06-07 US disclosed
EP-1751093-A1 SUBSTITUTED CYCLOHEXYLACETIC ACID DERIVATIVES Grünenthal GmbH (DE) 2007-02-14 EP disclosed
WO-2005110976-A1 SUBSTITUTED CYCLOHEXYLACETIC ACID DERIVATIVES Grünenthal GmbH (DE) 2005-11-24 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 (1 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-20070129347-A1 Cyclohexylacetic acid compounds ACACA, HCAR2, PCCA EPHX2 987/4885EP300 582/4885NCOA1 707/4885

“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.