SCHEMBL2378955

SCHEMBL2378955

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

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 17/20 0.52
OPRL1 P41146 15/20 0.52
OGFRL1 Q5TC84 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
OPRK1 P41145 1/20 0.39
CCR2 P41597 1/20 0.38

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
SCHEMBL2781209 0.84 OPRM1 (0.57) OPRM1OPRL1OPRK1
SCHEMBL4697957 0.83 OPRM1 (0.42) OPRM1OPRL1OGFRL1OPRK1
Hydrochloric Acid SCHEMBL2380060 0.83 OPRL1 (0.55) OPRM1OPRL1OPRK1
Hydrochloric Acid SCHEMBL2378965 0.82 OPRM1 (0.41) OPRM1OPRL1OGFRL1OPRK1
SCHEMBL2378658 0.79 OPRM1 (0.50) OPRM1OPRL1
SCHEMBL517439 0.79 OPRL1 (0.50) OPRM1OPRL1OGFRL1SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL2379845 0.78 OPRM1 (0.51) OPRM1OPRL1
SCHEMBL27826344 0.77 OPRL1 (0.50) OPRM1OPRL1OGFRL1SLC6A2SLC6A4
SCHEMBL22112097 0.76 OPRM1 (0.49) OPRM1OPRL1OGFRL1SLC6A2SLC6A4
SCHEMBL2204342 0.75 OPRM1 (0.56) OPRM1OPRL1SLC6A2SLC6A4SLC6A3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 2478/4885OGFRL1 2231/4885

“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.