SCHEMBL1777159

SCHEMBL1777159

COc1ncccc1C(=O)N1CCCCC1Cc1ncc(-c2ccc(F)cc2)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 17/20 0.46
HCRTR1 O43613 11/20 0.43
TRPV1 Q8NER1 1/20 0.40
NAMPT P43490 1/20 0.39

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
SCHEMBL1777161 1.00 HCRTR2 (0.46) HCRTR2HCRTR1TRPV1NAMPT
SCHEMBL1776959 0.80 HCRTR1 (0.42) HCRTR2HCRTR1NAMPT
SCHEMBL1776963 0.80 HCRTR1 (0.42) HCRTR2HCRTR1NAMPT
SCHEMBL1777666 0.80 RAB9A (0.47)
SCHEMBL4590434 0.80 RAB9A (0.47)
SCHEMBL1778712 0.78 HCRTR1 (0.41) HCRTR2HCRTR1NAMPT
SCHEMBL1778710 0.78 HCRTR1 (0.41) HCRTR2HCRTR1NAMPT
SCHEMBL1776470 0.77 RAB9A (0.46) HCRTR2HCRTR1NAMPT
SCHEMBL1776732 0.77 HCRTR1 (0.43) HCRTR2HCRTR1NAMPT
SCHEMBL1778335 0.76 HCRTR1 (0.62) HCRTR2HCRTR1

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 5 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

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-20090082390-A1 PIPERIDINE COMPOUNDS FOR USE AS OREXIN RECEPTOR ANTAGONIST HCRTR2, HCRTR1, OXTR HCRTR2 1/4885HCRTR1 2/4885TRPV1 94/4885

“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.