SCHEMBL6502755

SCHEMBL6502755

COc1ccc(Cl)c2c1CCC(CN1CCC(c3ccccc3)CC1)C2

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.53
HTR1A P08908 3/20 0.53
HTR7 P34969 1/20 0.50
DRD2 P14416 1/20 0.43
CCR2 P41597 3/20 0.42
OPRL1 P41146 1/20 0.42
KCNH2 Q12809 1/20 0.42
CCR5 P51681 2/20 0.42
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CARM1 Q86X55 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
SLC18A3 Q16572 1/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL6076000 0.80 HTR7 (0.68) SIGMAR1HTR1AHTR7DRD2OPRL1
Hydrochloric Acid SCHEMBL6490470 0.79 HTR7 (0.67) SIGMAR1HTR1AHTR7DRD2OPRL1
SCHEMBL6491735 0.78 CCR5 (0.42) SIGMAR1HTR1AHTR7DRD2CCR5
SCHEMBL6499403 0.76 HTR7 (0.50) SIGMAR1HTR7DRD2OPRL1KCNH2
Hydrochloric Acid SCHEMBL6492550 0.75 HTR7 (0.49) SIGMAR1HTR7DRD2OPRL1KCNH2
SCHEMBL6075429 0.74 OPRL1 (0.62) SIGMAR1HTR1AHTR7DRD2OPRL1
SCHEMBL6491915 0.74 OPRL1 (0.62) SIGMAR1HTR1AHTR7DRD2OPRL1
SCHEMBL6491960 0.74 OPRL1 (0.62) SIGMAR1HTR1AHTR7DRD2OPRL1
SCHEMBL6491526 0.74 OPRL1 (0.62) SIGMAR1HTR1AHTR7DRD2OPRL1
Hydrochloric Acid SCHEMBL6493608 0.74 OPRL1 (0.61) SIGMAR1HTR1AHTR7DRD2OPRL1

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 476/4885HTR7 1189/4885

“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.