SCHEMBL1776732

SCHEMBL1776732

O=C(c1cc2ccccc2cn1)N1CCCCC1Cc1ncc(-c2ccc(F)cc2)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 9/20 0.43
HCRTR2 O43614 9/20 0.43
NAMPT P43490 1/20 0.41
DPP4 P27487 2/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PRCP P42785 2/20 0.39
AKR1C3 P42330 1/20 0.39
SCD5 Q86SK9 1/20 0.38

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
SCHEMBL1778936 0.88 HCRTR1 (0.43) HCRTR1HCRTR2NAMPTDPP4AKR1C3
SCHEMBL1776959 0.85 HCRTR1 (0.42) HCRTR1HCRTR2NAMPTDPP4RAB9A
SCHEMBL1776963 0.85 HCRTR1 (0.42) HCRTR1HCRTR2NAMPTDPP4RAB9A
SCHEMBL1777666 0.82 RAB9A (0.47) RAB9ASMN1; SMN2PRCP
SCHEMBL4590434 0.82 RAB9A (0.47) RAB9ASMN1; SMN2PRCP
SCHEMBL1778258 0.79 HCRTR1 (0.67) HCRTR1HCRTR2
SCHEMBL1776470 0.79 RAB9A (0.46) HCRTR1HCRTR2NAMPTRAB9ASMN1; SMN2
SCHEMBL1778335 0.78 HCRTR1 (0.62) HCRTR1HCRTR2
SCHEMBL1778331 0.78 HCRTR1 (0.62) HCRTR1HCRTR2
SCHEMBL1778710 0.78 HCRTR1 (0.41) HCRTR1HCRTR2NAMPTRAB9ASMN1; SMN2

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 HCRTR1 2/4885HCRTR2 1/4885NAMPT 630/4885

“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.