SCHEMBL303247

SCHEMBL303247

CN(C)C1(c2ccccc2)CCC(=CC(=O)NCc2ccccc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 17/20 0.63
OPRM1 P35372 16/20 0.63
OPRK1 P41145 2/20 0.44
CYP2C9 P11712 1/20 0.44
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43

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 SCHEMBL2379087 0.99 OPRL1 (0.62) OPRL1OPRM1OPRK1CYP2C9
SCHEMBL2379624 0.92 OPRL1 (0.54) OPRL1OPRM1ALDH1A1CYP2C19
Hydrochloric Acid SCHEMBL302160 0.91 OPRL1 (0.53) OPRL1OPRM1ALDH1A1CYP2C19
SCHEMBL2378997 0.88 OPRL1 (0.51) OPRL1OPRM1ALDH1A1CYP2C19
Hydrochloric Acid SCHEMBL303067 0.87 OPRL1 (0.52) OPRL1OPRM1ALDH1A1CYP2C19
SCHEMBL2379621 0.86 OPRM1 (0.60) OPRL1OPRM1CYP2C9LMNACYP2D6
Hydrochloric Acid SCHEMBL302718 0.85 OPRL1 (0.61) OPRL1OPRM1CYP2C9LMNACYP2D6
SCHEMBL2379697 0.85 OPRM1 (0.56) OPRL1OPRM1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL302064 0.84 OPRL1 (0.57) OPRL1OPRM1ALDH1A1
SCHEMBL2379397 0.83 OPRL1 (0.58) OPRL1OPRM1LMNACYP2C19

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
JP-4852536-B2 2012-01-11 JP claimed
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
EP-1751093-A1 SUBSTITUTED CYCLOHEXYLACETIC ACID DERIVATIVES Grünenthal GmbH (DE) 2007-02-14 EP claimed
WO-2005110976-A1 SUBSTITUTED CYCLOHEXYLACETIC ACID DERIVATIVES Grünenthal GmbH (DE) 2005-11-24 WO 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 3702/4885OPRK1 1430/4885

“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.