SCHEMBL2378997

SCHEMBL2378997

CN(C)C1(c2ccccc2)CCC(=CC(=O)NCCc2ccccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 15/20 0.51
OPRM1 P35372 14/20 0.51
ALDH1A1 P00352 2/20 0.48
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TAAR1 Q96RJ0 1/20 0.46
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
MMP1 P03956 1/20 0.44
POLB P06746 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
RECQL P46063 1/20 0.44

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 SCHEMBL303067 0.99 OPRL1 (0.52) OPRL1OPRM1ALDH1A1HPGDSMN1; SMN2
SCHEMBL2379621 0.93 OPRM1 (0.60) OPRL1OPRM1TAAR1CYP2C19POLB
SCHEMBL2379754 0.92 RAB9A (0.47) OPRL1OPRM1ALDH1A1HPGDSMN1; SMN2
SCHEMBL2379697 0.92 OPRM1 (0.56) OPRL1OPRM1ALDH1A1HPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL302718 0.92 OPRL1 (0.61) OPRL1OPRM1TAAR1CYP2C19POLB
Hydrochloric Acid SCHEMBL2378665 0.91 RAB9A (0.46) OPRL1OPRM1POLB
Hydrochloric Acid SCHEMBL302064 0.91 OPRL1 (0.57) OPRL1OPRM1ALDH1A1HPGDSMN1; SMN2
SCHEMBL303247 0.88 OPRL1 (0.63) OPRL1OPRM1ALDH1A1CYP2C19
Hydrochloric Acid SCHEMBL2379087 0.87 OPRL1 (0.62) OPRL1OPRM1
SCHEMBL2378267 0.86 OPRM1 (0.53) OPRL1OPRM1TAAR1CYP2C19POLB

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 3702/4885ALDH1A1 168/4885

“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.