SCHEMBL1777217

SCHEMBL1777217

O=C(O)N1CCCC[C@H]1Cc1nnc(-c2ccc(F)cc2)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 8/20 0.41
ALDH1A1 P00352 2/20 0.41
DAGLB Q8NCG7 2/20 0.41
ABHD6 Q9BV23 4/20 0.41
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NAMPT P43490 1/20 0.38
HCRTR1 O43613 2/20 0.38
HCRTR2 O43614 2/20 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
SCHEMBL1777216 1.00 DAGLA (0.41) DAGLAALDH1A1DAGLBABHD6HPGD
SCHEMBL1777666 0.82 RAB9A (0.47) DAGLAALDH1A1DAGLBABHD6SMN1; SMN2
SCHEMBL4590434 0.82 RAB9A (0.47) DAGLAALDH1A1DAGLBABHD6SMN1; SMN2
SCHEMBL1777755 0.81 HCRTR1 (0.62) HCRTR1HCRTR2
SCHEMBL1778150 0.81 DAGLA (0.39) DAGLAALDH1A1DAGLBABHD6NAMPT
SCHEMBL1778152 0.81 DAGLA (0.39) DAGLAALDH1A1DAGLBABHD6NAMPT
SCHEMBL1778936 0.80 HCRTR1 (0.43) DAGLADAGLBABHD6NAMPTHCRTR1
SCHEMBL5254198 0.79 HCRTR1 (0.50) HCRTR1HCRTR2
SCHEMBL1776470 0.79 RAB9A (0.46) SMN1; SMN2NAMPTHCRTR1HCRTR2
SCHEMBL1778542 0.77 HCRTR1 (0.65) 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
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

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 DAGLA 3538/4885ALDH1A1 1534/4885DAGLB 3255/4885
US-20040215014-A1 Piperidine compounds for use as orexin receptor antagonist HCRTR2, HCRTR1, OXTR DAGLA 4065/4885ALDH1A1 1449/4885DAGLB 3944/4885

“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.