SCHEMBL1777655

SCHEMBL1777655

Cc1nc(C(=O)N2CCCCC2Cc2nc(-c3ccccc3)c(Br)o2)c(-c2ccccc2)s1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 20/20 0.59
HCRTR1 O43613 18/20 0.59
TSPO P30536 1/20 0.59
OPRK1 P41145 1/20 0.59
HTR2B P41595 1/20 0.59
FFAR4 Q5NUL3 1/20 0.59

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
SCHEMBL1777641 0.95 HCRTR1 (0.64) HCRTR2HCRTR1TSPOOPRK1HTR2B
SCHEMBL6682860 0.95 HCRTR1 (0.64) HCRTR2HCRTR1TSPOOPRK1HTR2B
SCHEMBL1778402 0.93 HCRTR1 (0.62) HCRTR2HCRTR1TSPOOPRK1HTR2B
SCHEMBL1778399 0.93 HCRTR1 (0.62) HCRTR2HCRTR1TSPOOPRK1HTR2B
SCHEMBL1778902 0.88 HCRTR1 (0.64) HCRTR2HCRTR1TSPOOPRK1HTR2B
SCHEMBL1777725 0.86 HCRTR1 (0.63) HCRTR2HCRTR1TSPOOPRK1HTR2B
SCHEMBL1776015 0.84 HCRTR1 (0.60) HCRTR2HCRTR1TSPOOPRK1HTR2B
SCHEMBL1779459 0.83 HCRTR1 (0.58) HCRTR2HCRTR1TSPOOPRK1HTR2B
SCHEMBL1779440 0.83 HCRTR1 (0.51) HCRTR2HCRTR1TSPOOPRK1HTR2B
SCHEMBL1257946 0.82 HCRTR1 (0.57) HCRTR2HCRTR1TSPOOPRK1HTR2B

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
EP-1406897-B1 COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 2007-03-14 EP claimed
US-7943645-B2 Piperidine compounds for use as orexin receptor antagonist SMITHKLINE BEECHAM LIMITED (GB) 2011-05-17 US disclosed
US-20090082390-A1 PIPERIDINE COMPOUNDS FOR USE AS OREXIN RECEPTOR ANTAGONIST SMITHKLINE BEECHAM P.L.C. 2009-03-26 US disclosed
US-7423052-B2 Piperidine compounds for use as orexin receptor antagoinst SMITHKLINE BEECHAM P.L.C. (GB) 2008-09-09 US disclosed
EP-1406897-B1 COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 2007-03-14 EP disclosed
US-20040215014-A1 Piperidine compounds for use as orexin receptor antagonist SMITHKLINE BEECHAM LIMITED (GB) 2004-10-28 US disclosed
EP-1406897-A2 COMPOUNDS SmithKline Beecham plc (GB) 2004-04-14 EP disclosed
WO-2003002559-A2 PIPERIDINE COMPOUNDS FOR USE AS OREXIN RECEPTOR ANTAGONIST SMITHKLINE BEECHAM P.L.C. (GB) 2003-01-09 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 (2 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-20090082390-A1 PIPERIDINE COMPOUNDS FOR USE AS OREXIN RECEPTOR ANTAGONIST HCRTR2, HCRTR1, OXTR HCRTR2 1/4885HCRTR1 2/4885TSPO 408/4885
US-20040215014-A1 Piperidine compounds for use as orexin receptor antagonist HCRTR2, HCRTR1, OXTR HCRTR2 1/4885HCRTR1 2/4885TSPO 388/4885

“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.