SCHEMBL2379972

SCHEMBL2379972

CN(C)C1(c2cccc(F)c2)CCC(CC(=O)NCCCc2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 11/20 0.57
OPRL1 P41146 11/20 0.57
EPHX2 P34913 1/20 0.47
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NAMPT P43490 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 SCHEMBL302048 0.99 OPRM1 (0.58) OPRM1OPRL1EPHX2GAAHPGD
SCHEMBL2379652 0.90 OPRM1 (0.69) OPRM1OPRL1EPHX2GAAHPGD
SCHEMBL302123 0.89 OPRM1 (0.60) OPRM1OPRL1EPHX2GAAHPGD
Hydrochloric Acid SCHEMBL302167 0.89 OPRM1 (0.70) OPRM1OPRL1EPHX2GAAHPGD
Hydrochloric Acid SCHEMBL2379631 0.88 OPRM1 (0.61) OPRM1OPRL1EPHX2GAAHPGD
SCHEMBL2380132 0.87 OPRM1 (0.65) OPRM1OPRL1EPHX2HPGDL3MBTL1
Hydrochloric Acid SCHEMBL301795 0.86 OPRM1 (0.66) OPRM1OPRL1EPHX2HPGDL3MBTL1
SCHEMBL2380040 0.83 EPHX2 (0.63) OPRM1OPRL1EPHX2
Hydrochloric Acid SCHEMBL302131 0.82 EPHX2 (0.62) OPRM1OPRL1EPHX2
SCHEMBL2379116 0.79 MAPT (0.60) OPRM1OPRL1

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 OPRM1 3702/4885OPRL1 2478/4885EPHX2 987/4885

“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.