SCHEMBL2379955

SCHEMBL2379955

CN(C)C1(c2ccccc2)CCC(=CC(=O)NCCCCCc2c[nH]c3ccccc23)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 7/20 0.53
OPRM1 P35372 6/20 0.53
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
PKM P14618 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
BLM P54132 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
MAOA P21397 1/20 0.43
ADRA1D P25100 1/20 0.43
HTR1B P28222 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
CHRNB4 P30926 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
SCHEMBL2378561 1.00 OPRL1 (0.53) OPRL1OPRM1MEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL2380793 0.99 OPRL1 (0.54) OPRL1OPRM1MEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL2380031 0.99 OPRL1 (0.54) OPRL1OPRM1MEN1KMT2ALMNA
SCHEMBL2379415 0.99 OPRL1 (0.54) OPRL1OPRM1MEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL2381529 0.98 OPRL1 (0.55) OPRL1OPRM1MEN1KMT2ALMNA
SCHEMBL2379296 0.96 OPRL1 (0.55) OPRL1OPRM1MEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL2379642 0.95 OPRL1 (0.55) OPRL1OPRM1MEN1KMT2ALMNA
SCHEMBL2378459 0.93 OPRL1 (0.59) OPRL1OPRM1MEN1KMT2ALMNA
SCHEMBL2379397 0.87 OPRL1 (0.58) OPRL1OPRM1MEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL303239 0.86 OPRL1 (0.57) OPRL1OPRM1MEN1KMT2ALMNA

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 3702/4885MEN1 2416/4885

“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.