SCHEMBL1776963

SCHEMBL1776963

O=C(c1ccc2cccnc2n1)N1CCCC[C@H]1Cc1ncc(-c2ccc(F)cc2)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 9/20 0.42
HCRTR2 O43614 9/20 0.42
NAMPT P43490 1/20 0.41
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DPP4 P27487 1/20 0.37
DPP9 Q86TI2 1/20 0.37
RIPK1 Q13546 2/20 0.36
PRKAA2 P54646 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NR2F2 P24468 1/20 0.36
ABL1 P00519 1/20 0.35
RIN1 Q13671 1/20 0.35

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
SCHEMBL1776959 1.00 HCRTR1 (0.42) HCRTR1HCRTR2NAMPTRAB9ASMN1; SMN2
SCHEMBL1776732 0.85 HCRTR1 (0.43) HCRTR1HCRTR2NAMPTRAB9ASMN1; SMN2
SCHEMBL1777161 0.80 HCRTR2 (0.46) HCRTR1HCRTR2NAMPT
SCHEMBL1777159 0.80 HCRTR2 (0.46) HCRTR1HCRTR2NAMPT
SCHEMBL4590434 0.80 RAB9A (0.47) RAB9ASMN1; SMN2ALDH1A1
SCHEMBL1777666 0.80 RAB9A (0.47) RAB9ASMN1; SMN2ALDH1A1
SCHEMBL5254923 0.79 HCRTR1 (0.40) HCRTR1HCRTR2NAMPTRAB9ASMN1; SMN2
SCHEMBL5254918 0.79 HCRTR1 (0.40) HCRTR1HCRTR2NAMPTRAB9ASMN1; SMN2
SCHEMBL1776470 0.77 RAB9A (0.46) HCRTR1HCRTR2NAMPTRAB9ASMN1; SMN2
SCHEMBL1778331 0.76 HCRTR1 (0.62) HCRTR1HCRTR2

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-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.