SCHEMBL2379624

SCHEMBL2379624

CN(C)C1(c2ccccc2)CCC(=CC(=O)NCc2ccc(F)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 13/20 0.54
OPRM1 P35372 12/20 0.54
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44
MAOB P27338 1/20 0.44
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41

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 SCHEMBL302160 0.99 OPRL1 (0.53) OPRL1OPRM1RAB9ANPC1POLB
SCHEMBL303247 0.92 OPRL1 (0.63) OPRL1OPRM1ALDH1A1CYP2C19
Hydrochloric Acid SCHEMBL2379087 0.91 OPRL1 (0.62) OPRL1OPRM1
SCHEMBL2379754 0.89 RAB9A (0.47) OPRL1OPRM1RAB9ANPC1POLB
Hydrochloric Acid SCHEMBL2378665 0.88 RAB9A (0.46) OPRL1OPRM1RAB9ANPC1POLB
SCHEMBL2378267 0.83 OPRM1 (0.53) OPRL1OPRM1RAB9ANPC1POLB
SCHEMBL2379208 0.83 EGFR (0.44) OPRL1OPRM1RAB9ANPC1KDM4E
Hydrochloric Acid SCHEMBL2379072 0.82 OPRM1 (0.53) OPRL1OPRM1RAB9ANPC1KMT2A
Hydrochloric Acid SCHEMBL303289 0.82 EGFR (0.43) OPRL1OPRM1KDM4EKMT2A
SCHEMBL2378997 0.81 OPRL1 (0.51) OPRL1OPRM1POLBALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8017630-B2 Cyclohexylacetic acid compounds GRUENENTHAL GMBH (DE) 2011-09-13 US claimed
EP-1751093-B1 SUBSTITUTED CYCLOHEXYLACETIC ACID DERIVATIVES GRUENENTHAL GMBH (DE) 2010-10-06 EP claimed
US-20070129347-A1 Cyclohexylacetic acid compounds GRUENENTHAL GMBH (DE) 2007-06-07 US 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 OPRL1 2478/4885OPRM1 3702/4885RAB9A 1391/4885

“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.