SCHEMBL1778150

SCHEMBL1778150

O=C(O)N1CCCCC1Cc1nc(Br)c(-c2ccc(F)cc2)[nH]1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 7/20 0.39
ABHD6 Q9BV23 4/20 0.39
ALDH1A1 P00352 1/20 0.39
HCRTR1 O43613 3/20 0.38
HCRTR2 O43614 3/20 0.38
APOL1 O14791 1/20 0.37
DAGLB Q8NCG7 1/20 0.37
NAMPT P43490 1/20 0.36
GSK3B P49841 1/20 0.36
MAPK14 Q16539 1/20 0.36

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
SCHEMBL1778152 1.00 DAGLA (0.39) DAGLAABHD6ALDH1A1HCRTR1HCRTR2
SCHEMBL1776702 0.83 HCRTR1 (0.59) HCRTR1HCRTR2
SCHEMBL1777216 0.81 DAGLA (0.41) DAGLAABHD6ALDH1A1HCRTR1HCRTR2
SCHEMBL1777217 0.81 DAGLA (0.41) DAGLAABHD6ALDH1A1HCRTR1HCRTR2
SCHEMBL1777666 0.79 RAB9A (0.47) DAGLAABHD6ALDH1A1DAGLB
SCHEMBL4590434 0.79 RAB9A (0.47) DAGLAABHD6ALDH1A1DAGLB
SCHEMBL1776470 0.75 RAB9A (0.46) HCRTR1HCRTR2APOL1NAMPT
SCHEMBL1777517 0.71 HCRTR1 (0.64) HCRTR1HCRTR2
Hydrochloric Acid SCHEMBL1778287 0.71 LTA4H (0.41) MAPK14
Hydrochloric Acid SCHEMBL1778284 0.71 LTA4H (0.41) MAPK14

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 6 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
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 (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 DAGLA 3538/4885ABHD6 3091/4885ALDH1A1 1534/4885

“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.