SCHEMBL1778496

SCHEMBL1778496

COc1cccc(-c2cnc(CC3CCCCN3C(=O)c3nn(C)cc3-c3ccc(F)cc3)[nH]2)c1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ABHD6 Q9BV23 2/20 0.43
DAGLA Q9Y4D2 2/20 0.43
TRPV1 Q8NER1 1/20 0.43
HCRTR1 O43613 12/20 0.42
HCRTR2 O43614 11/20 0.42
CCR3 P51677 1/20 0.39
DAGLB Q8NCG7 1/20 0.38
PRCP P42785 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
SCHEMBL1777293 0.90 HCRTR1 (0.42) HCRTR1HCRTR2PRCP
SCHEMBL1777296 0.90 HCRTR1 (0.42) HCRTR1HCRTR2PRCP
SCHEMBL1778704 0.90 HCRTR1 (0.42) HCRTR1HCRTR2
SCHEMBL1778706 0.90 HCRTR1 (0.42) HCRTR1HCRTR2
SCHEMBL1778875 0.88 KCNH2 (0.42) TRPV1HCRTR1HCRTR2PRCP
SCHEMBL1776678 0.87 HCRTR1 (0.43) HCRTR1HCRTR2PRCP
SCHEMBL1776681 0.87 HCRTR1 (0.43) HCRTR1HCRTR2PRCP
SCHEMBL1777184 0.84 HCRTR1 (0.60) HCRTR1HCRTR2
SCHEMBL1777866 0.80 TRPV1 (0.47) ABHD6DAGLATRPV1HCRTR1HCRTR2
SCHEMBL1257968 0.77 HCRTR1 (0.40) 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 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 ABHD6 3091/4885DAGLA 3538/4885TRPV1 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.