SCHEMBL2379182

SCHEMBL2379182

CN(C)C1(c2ccc(F)cc2)CCC(=CC(=O)NCCc2c[nH]c3ccccc23)CC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 1/20 0.53
CDK4 P11802 3/20 0.51
CCND1 P24385 3/20 0.51
OPRM1 P35372 4/20 0.51
OPRL1 P41146 4/20 0.51
TRPV1 Q8NER1 1/20 0.49
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48
PKM P14618 1/20 0.48
TSHR P16473 1/20 0.48
CYP2C19 P33261 1/20 0.48
BLM P54132 1/20 0.48
KMT2A Q03164 1/20 0.48
PTGS2 P35354 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
MAPT P10636 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 SCHEMBL2380775 0.99 SIRT1 (0.52) SIRT1CDK4CCND1OPRM1OPRL1
SCHEMBL2378459 0.93 OPRL1 (0.59) OPRM1OPRL1MEN1LMNACYP1A2
SCHEMBL2378734 0.91 MAPT (0.55) SIRT1CDK4CCND1OPRM1OPRL1
Hydrochloric Acid SCHEMBL303144 0.90 MAPT (0.55) SIRT1CDK4CCND1OPRM1OPRL1
SCHEMBL2379296 0.87 OPRL1 (0.55) CDK4OPRM1OPRL1MEN1LMNA
SCHEMBL2379415 0.86 OPRL1 (0.54) CDK4OPRM1OPRL1MEN1LMNA
Hydrochloric Acid SCHEMBL2379642 0.86 OPRL1 (0.55) CDK4OPRM1OPRL1MEN1LMNA
Hydrochloric Acid SCHEMBL2381529 0.86 OPRL1 (0.55) CDK4OPRM1OPRL1MEN1LMNA
SCHEMBL2379955 0.86 OPRL1 (0.53) OPRM1OPRL1MEN1LMNACYP1A2
SCHEMBL2378561 0.86 OPRL1 (0.53) OPRM1OPRL1MEN1LMNACYP1A2

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 SIRT1 2610/4885CDK4 3505/4885CCND1 2345/4885

“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.