SCHEMBL1776470

SCHEMBL1776470

O=C(O)N1CCC[C@H]1Cc1ncc(-c2ccc(F)cc2)[nH]1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PRCP P42785 9/20 0.44
HDAC1 Q13547 1/20 0.41
PDE10A Q9Y233 1/20 0.40
NAMPT P43490 1/20 0.40
APOL1 O14791 1/20 0.39
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 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
SCHEMBL4590434 0.97 RAB9A (0.47) RAB9ASMN1; SMN2PRCPHDAC1PDE10A
SCHEMBL1777666 0.97 RAB9A (0.47) RAB9ASMN1; SMN2PRCPHDAC1PDE10A
SCHEMBL1777093 0.86 OPRM1 (0.46) PRCPHDAC1
SCHEMBL1778944 0.82 HCRTR1 (0.42) RAB9ASMN1; SMN2PRCPNAMPTAPOL1
SCHEMBL1778948 0.82 HCRTR1 (0.42) RAB9ASMN1; SMN2PRCPNAMPTAPOL1
SCHEMBL1776681 0.81 HCRTR1 (0.43) RAB9ASMN1; SMN2PRCPHDAC1PDE10A
SCHEMBL1776678 0.81 HCRTR1 (0.43) RAB9ASMN1; SMN2PRCPHDAC1PDE10A
SCHEMBL1776561 0.81 HCRTR1 (0.63) HCRTR1HCRTR2
SCHEMBL1776564 0.81 HCRTR1 (0.63) HCRTR1HCRTR2
SCHEMBL1778712 0.80 HCRTR1 (0.41) RAB9ASMN1; SMN2NAMPTHCRTR1HCRTR2

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 7 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
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 RAB9A 1592/4885SMN1; SMN2 3381/4885PRCP 691/4885
US-20040215014-A1 Piperidine compounds for use as orexin receptor antagonist HCRTR2, HCRTR1, OXTR RAB9A 1985/4885SMN1; SMN2 3363/4885PRCP 764/4885

“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.