SCHEMBL4663768

SCHEMBL4663768

C=CC1(O)CCC(Cc2ccc(F)cc2)CC1CN(C)C

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.40
OPRM1 P35372 2/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
EPHX2 P34913 1/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
CCR3 P51677 1/20 0.32
SLC6A3 Q01959 1/20 0.32
MAPK14 Q16539 1/20 0.32
AQP1 P29972 1/20 0.31

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
SCHEMBL4665614 0.88 OPRM1 (0.35) TRPA1OPRM1OPRD1OPRK1SLC6A2
SCHEMBL4665406 0.81 OPRD1 (0.42) TRPA1OPRM1OPRD1OPRK1SLC6A2
SCHEMBL4663553 0.81 TRPA1 (0.41) TRPA1OPRM1OPRD1OPRK1EPHX2
SCHEMBL4664087 0.81 HDAC4 (0.38) OPRM1
SCHEMBL7130883 0.80 LMNA (0.33) OPRM1OPRD1OPRK1
SCHEMBL4664050 0.79 TRPA1 (0.45) TRPA1OPRM1OPRD1OPRK1EPHX2
SCHEMBL4663417 0.78 SLC6A4 (0.47) OPRM1OPRD1OPRK1SLC6A2SLC6A4
SCHEMBL4665334 0.78 ALDH1A1 (0.48) TRPA1OPRM1OPRD1OPRK1SLC6A2
SCHEMBL4663717 0.78 TRPA1 (0.44) TRPA1OPRM1OPRD1OPRK1EPHX2
SCHEMBL4663522 0.77 TRPA1 (0.44) TRPA1OPRM1OPRD1OPRK1SLC6A2

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
EP-1571140-B1 C-substituted cyclohexylmethylamine derivatives GRUENENTHAL GMBH (DE) 2008-11-12 EP claimed
US-7273952-B2 Substituted C-cyclohexylmethylamine derivatives GRUENENTHAL GMBH (DE) 2007-09-25 US claimed
US-20030232891-A1 Substituted C-cyclohexylmethylamine derivatives GRUENENTHAL GMBH (DE) 2003-12-18 US claimed
EP-1571140-B1 C-substituted cyclohexylmethylamine derivatives GRUENENTHAL GMBH (DE) 2008-11-12 EP disclosed
US-7273952-B2 Substituted C-cyclohexylmethylamine derivatives GRUENENTHAL GMBH (DE) 2007-09-25 US disclosed
EP-1368299-B1 SUBSTITUTED C-CYCLOHEXYLMETHYLAMINE DERIVATIVES GRUENENTHAL GMBH (DE) 2006-07-26 EP disclosed
EP-1571140-A1 C-substituted cyclohexylmethylamine derivatives Grünenthal GmbH (DE) 2005-09-07 EP disclosed
US-20030232891-A1 Substituted C-cyclohexylmethylamine derivatives GRUENENTHAL GMBH (DE) 2003-12-18 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-20030232891-A1 Substituted C-cyclohexylmethylamine derivatives CNR2, CNR1, HNMT TRPA1 155/4885OPRM1 5/4885OPRD1 25/4885

“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.