SCHEMBL6489714

SCHEMBL6489714

COc1ccc2c(c1)C(=O)CC(CN1CCC(c3ccccc3)CC1)CC2

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.61
SIGMAR1 Q99720 2/20 0.58
HTR1A P08908 1/20 0.58
HTR2A P28223 5/20 0.50
HTR2C P28335 4/20 0.50
DRD2 P14416 4/20 0.50
MCHR1 Q99705 1/20 0.46
APP P05067 1/20 0.45
CCR5 P51681 1/20 0.45
OPRL1 P41146 1/20 0.45
KDM4E B2RXH2 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL7779516 1.00 HTR7 (0.61) HTR7SIGMAR1HTR1AHTR2AHTR2C
Hydrochloric Acid SCHEMBL6491271 0.99 HTR7 (0.60) HTR7SIGMAR1HTR1AHTR2AHTR2C
SCHEMBL6491129 0.87 SIGMAR1 (0.74) HTR7SIGMAR1HTR1AHTR2AHTR2C
SCHEMBL6499369 0.84 HTR7 (0.54) HTR7SIGMAR1HTR1AHTR2AHTR2C
SCHEMBL6491393 0.83 HTR7 (0.71) HTR7SIGMAR1HTR1AHTR2AHTR2C
Hydrochloric Acid SCHEMBL6493410 0.83 HTR7 (0.53) HTR7SIGMAR1HTR1AHTR2AHTR2C
Hydrochloric Acid SCHEMBL6491157 0.82 HTR7 (0.69) HTR7SIGMAR1HTR1AHTR2AHTR2C
SCHEMBL6076000 0.80 HTR7 (0.68) HTR7SIGMAR1HTR1AHTR2AHTR2C
Hydrochloric Acid SCHEMBL6490470 0.79 HTR7 (0.67) HTR7SIGMAR1HTR1AHTR2AHTR2C
SCHEMBL6492403 0.78 OPRL1 (0.57) HTR7SIGMAR1HTR1ADRD2CCR5

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
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

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 1189/4885SIGMAR1 50/4885HTR1A 476/4885

“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.