SCHEMBL6491129

SCHEMBL6491129

COc1ccc2c(c1)CCC(CN1CCC(c3ccccc3)CC1)C2

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.74
HTR1A P08908 5/20 0.68
MCHR1 Q99705 1/20 0.52
HTR7 P34969 1/20 0.49
CYP26A1 O43174 1/20 0.49
CYP19A1 P11511 1/20 0.49
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
OPRM1 P35372 1/20 0.46
OPRL1 P41146 1/20 0.46
DRD2 P14416 2/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46

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 0.87 HTR7 (0.61) SIGMAR1HTR1AMCHR1HTR7OPRL1
SCHEMBL6489714 0.87 HTR7 (0.61) SIGMAR1HTR1AMCHR1HTR7OPRL1
Hydrochloric Acid SCHEMBL6491271 0.86 HTR7 (0.60) SIGMAR1HTR1AMCHR1HTR7OPRL1
SCHEMBL5904101 0.84 SIGMAR1 (0.71) SIGMAR1HTR1AMCHR1CYP26A1CYP19A1
Hydrochloric Acid SCHEMBL4623796 0.83 SIGMAR1 (0.77) SIGMAR1HTR1ACYP26A1CYP19A1DRD2
SCHEMBL6075108 0.83 SIGMAR1 (0.68) SIGMAR1HTR1AHTR7OPRM1OPRL1
Hydrochloric Acid SCHEMBL4622628 0.82 SIGMAR1 (0.68) SIGMAR1HTR1AMCHR1CYP26A1CYP19A1
SCHEMBL6492403 0.82 OPRL1 (0.57) SIGMAR1HTR1AHTR7OPRM1OPRL1
Hydrochloric Acid SCHEMBL6492780 0.81 SIGMAR1 (0.67) SIGMAR1HTR1AHTR7OPRM1OPRL1
SCHEMBL7260631 0.81 MCHR1 (0.54) SIGMAR1HTR1AMCHR1DRD2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 SIGMAR1 50/4885HTR1A 476/4885MCHR1 173/4885

“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.