SCHEMBL6677012

SCHEMBL6677012

CCN(CC)C(=O)c1cccc(/C=C2/C=C(c3cccc(OC)c3)C(CN(C)C)CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.48
CCR6 P51684 1/20 0.48
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
OPRM1 P35372 2/20 0.41
OPRD1 P41143 2/20 0.41
HSD17B2 P37059 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
SCHEMBL6677972 1.00 HSP90AA1 (0.48) HSP90AA1CCR6LMNAHPGDTSHR
SCHEMBL6677017 1.00 HSP90AA1 (0.48) HSP90AA1CCR6LMNAHPGDTSHR
SCHEMBL6722389 1.00 HSP90AA1 (0.48) HSP90AA1CCR6LMNAHPGDTSHR
Hydrochloric Acid SCHEMBL6727753 0.99 HSP90AA1 (0.50) HSP90AA1CCR6LMNAHPGDTSHR
Hydrochloric Acid SCHEMBL6716875 0.99 HSP90AA1 (0.50) HSP90AA1CCR6LMNAHPGDTSHR
Hydrochloric Acid SCHEMBL6716883 0.99 HSP90AA1 (0.50) HSP90AA1CCR6LMNAHPGDTSHR
SCHEMBL6680155 0.90 HSP90AA1 (0.52) HSP90AA1CCR6HSD17B2
SCHEMBL6677969 0.90 HSP90AA1 (0.52) HSP90AA1CCR6HSD17B2
SCHEMBL6680149 0.90 HSP90AA1 (0.52) HSP90AA1CCR6HSD17B2
SCHEMBL6683197 0.89 HSP90AA1 (0.49) HSP90AA1CCR6HPGDTSHR

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 6 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-B1 SUBSTITUTED AMINOMETHYL-PHENYL-CYCLOHEXANE DERIVATIVES GRUENENTHAL GMBH (DE) 2004-11-10 EP 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 1652/4885CCR6 1317/4885LMNA 2430/4885

“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.