SCHEMBL4663522

SCHEMBL4663522

CN(C)CC1CC(Cc2ccc(F)cc2)CCC1(O)CC1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 4/20 0.44
SLC6A2 P23975 4/20 0.35
SLC6A4 P31645 4/20 0.35
SLC6A3 Q01959 1/20 0.35
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
OPRM1 P35372 4/20 0.34
OPRD1 P41143 3/20 0.34
OPRK1 P41145 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CCR3 P51677 1/20 0.33
SLC22A1 O15245 2/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32

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
SCHEMBL4664121 0.89 SLC6A4 (0.38) TRPA1SLC6A2SLC6A4SLC6A3RAB9A
SCHEMBL4663553 0.86 TRPA1 (0.41) TRPA1OPRM1OPRD1OPRK1
SCHEMBL7132654 0.85 OPRM1 (0.39) TRPA1SLC6A2SLC6A4SLC6A3OPRM1
SCHEMBL4663717 0.83 TRPA1 (0.44) TRPA1SLC6A2SLC6A4SLC6A3POLB
SCHEMBL4663998 0.83 HDAC4 (0.37) TRPA1OPRM1
SCHEMBL4663376 0.82 TRPA1 (0.39) TRPA1POLBSMN1; SMN2OPRM1OPRD1
SCHEMBL4664050 0.82 TRPA1 (0.45) TRPA1SLC6A2SLC6A4OPRM1OPRD1
SCHEMBL4665406 0.81 OPRD1 (0.42) TRPA1SLC6A2SLC6A4SLC6A3SMN1; SMN2
SCHEMBL4663618 0.81 GMNN (0.39) TRPA1OPRM1OPRD1OPRK1
SCHEMBL4665434 0.81 GMNN (0.39) TRPA1OPRM1OPRD1OPRK1

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 155/4885SLC6A2 611/4885SLC6A4 358/4885

“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.