SCHEMBL6502579

SCHEMBL6502579

Cc1cccc2c1CCC(CN1CCC(c3ccccc3)CC1)CC2=O

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 4/20 0.52
OPRL1 P41146 5/20 0.50
KCNH2 Q12809 2/20 0.50
SIGMAR1 Q99720 4/20 0.46
DRD2 P14416 2/20 0.45
OPRM1 P35372 2/20 0.44
CARM1 Q86X55 1/20 0.42
PRMT6 Q96LA8 1/20 0.42
SLC18A3 Q16572 2/20 0.42

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
Hydrochloric Acid SCHEMBL6501506 0.99 HTR7 (0.51) HTR7OPRL1KCNH2SIGMAR1DRD2
SCHEMBL6503800 0.87 HTR7 (0.48) HTR7OPRL1KCNH2SIGMAR1DRD2
SCHEMBL6499403 0.86 HTR7 (0.50) HTR7OPRL1KCNH2SIGMAR1DRD2
Hydrochloric Acid SCHEMBL6499478 0.86 HTR7 (0.47) HTR7OPRL1KCNH2SIGMAR1DRD2
SCHEMBL6076000 0.86 HTR7 (0.68) HTR7OPRL1SIGMAR1DRD2
Hydrochloric Acid SCHEMBL6492550 0.85 HTR7 (0.49) HTR7OPRL1KCNH2SIGMAR1DRD2
Hydrochloric Acid SCHEMBL6490470 0.85 HTR7 (0.67) HTR7OPRL1SIGMAR1DRD2
SCHEMBL6491393 0.82 HTR7 (0.71) HTR7OPRL1KCNH2SIGMAR1DRD2
Hydrochloric Acid SCHEMBL6491157 0.81 HTR7 (0.69) HTR7OPRL1KCNH2SIGMAR1DRD2
SCHEMBL6501862 0.79 BACE1 (0.42) KCNH2SIGMAR1

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
US-6969724-B2 Compounds SMITHKLINE BEECHAM-SPA (GB) 2005-11-29 US claimed
US-20040024218-A1 Novel compounds SMITHKLINE BEECHAM SPA 2004-02-05 US claimed
EP-1129072-A2 N-SUBSTITUTED AZACYCLES, THEIR PREPARATION AND THEIR USE AS ORL-1 RECEPTOR LIGANDS Smithkline Beecham S.p.A. (IT) 2001-09-05 EP claimed
WO-2000027815-A2 N-SUBSTITUTED AZACYCLES, THEIR PREPARATION AND THEIR USE AS ORL-1 RECEPTOR LIGANDS SMITHKLINE BEECHAM SPA (IT) 2000-05-18 WO claimed
US-6969724-B2 Compounds SMITHKLINE BEECHAM-SPA (GB) 2005-11-29 US disclosed
US-20040024218-A1 Novel compounds SMITHKLINE BEECHAM SPA 2004-02-05 US disclosed
EP-1129072-A2 N-SUBSTITUTED AZACYCLES, THEIR PREPARATION AND THEIR USE AS ORL-1 RECEPTOR LIGANDS Smithkline Beecham S.p.A. (IT) 2001-09-05 EP disclosed
WO-2000027815-A2 N-SUBSTITUTED AZACYCLES, THEIR PREPARATION AND THEIR USE AS ORL-1 RECEPTOR LIGANDS SMITHKLINE BEECHAM SPA (IT) 2000-05-18 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-20040024218-A1 Novel compounds OXER1, CLIC1, CCR1 HTR7 1189/4885OPRL1 9/4885KCNH2 706/4885

“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.