SCHEMBL6677441

SCHEMBL6677441

CN(C)CC1CCC(=Cc2ccc(F)cc2)C=C1c1cccc(O)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.42
MITF O75030 1/20 0.42
OPRK1 P41145 3/20 0.35
OPRD1 P41143 9/20 0.35
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
CCR6 P51684 2/20 0.34
HSD17B1 P14061 2/20 0.34
HSD17B2 P37059 2/20 0.34
OPRM1 P35372 3/20 0.33
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL6677431 1.00 HSP90AA1 (0.42) HSP90AA1MITFOPRK1OPRD1ADRA2A
SCHEMBL6677930 1.00 HSP90AA1 (0.42) HSP90AA1MITFOPRK1OPRD1ADRA2A
SCHEMBL6681890 0.90 HSP90AA1 (0.42) HSP90AA1MITFOPRK1OPRD1ADRA2A
SCHEMBL6681885 0.90 HSP90AA1 (0.42) HSP90AA1MITFOPRK1OPRD1ADRA2A
SCHEMBL6727331 0.86 HSP90AA1 (0.48) HSP90AA1MITFOPRK1OPRD1CCR6
SCHEMBL6721137 0.86 HSP90AA1 (0.48) HSP90AA1MITFOPRK1OPRD1CCR6
SCHEMBL6683488 0.86 HSP90AA1 (0.48) HSP90AA1MITFOPRK1OPRD1CCR6
SCHEMBL6677987 0.86 HSP90AA1 (0.48) HSP90AA1MITFOPRK1OPRD1CCR6
SCHEMBL6677339 0.86 HSP90AA1 (0.48) HSP90AA1MITFOPRK1OPRD1CCR6
SCHEMBL6678188 0.84 HSP90AA1 (0.37) HSP90AA1MITFOPRK1OPRD1ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1246793-B1 SUBSTITUTED AMINOMETHYL-PHENYL-CYCLOHEXANE DERIVATIVES GRUENENTHAL GMBH (DE) 2004-11-10 EP claimed
US-6673794-B2 ANALGESICS, INCOTINENCE, SKIN DISORDERS, ANTIINFLAMMATORY AGENTS GRUENENTHAL GMBH (DE) 2004-01-06 US claimed
US-20030069288-A1 Substituted aminomethyl-phenyl-cyclohexane derivatives GRUENETHAL GMBH (DE) 2003-04-10 US claimed
EP-1246793-A2 SUBSTITUTED AMINOMETHYL-PHENYL-CYCLOHEXANE DERIVATIVES Grünenthal GmbH (DE) 2002-10-09 EP claimed
WO-2001049654-A2 SUBSTITUTED AMINOMETHYL-PHENYL-CYCLOHEXANE DERIVATIVES Grünenthal GmbH (DE) 2001-07-12 WO claimed
US-6673794-B2 ANALGESICS, INCOTINENCE, SKIN DISORDERS, ANTIINFLAMMATORY AGENTS GRUENENTHAL GMBH (DE) 2004-01-06 US disclosed
US-20030069288-A1 Substituted aminomethyl-phenyl-cyclohexane derivatives GRUENETHAL GMBH (DE) 2003-04-10 US disclosed
EP-1246793-A2 SUBSTITUTED AMINOMETHYL-PHENYL-CYCLOHEXANE DERIVATIVES Grünenthal GmbH (DE) 2002-10-09 EP disclosed
WO-2001049654-A2 SUBSTITUTED AMINOMETHYL-PHENYL-CYCLOHEXANE DERIVATIVES Grünenthal GmbH (DE) 2001-07-12 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-20030069288-A1 Substituted aminomethyl-phenyl-cyclohexane derivatives PTGER1, CYP2E1, HRH2 HSP90AA1 1652/4885MITF 1500/4885OPRK1 80/4885

“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.