SCHEMBL1780331

SCHEMBL1780331

Fc1ccc(-c2nnc(C[C@@H]3CCCCN3)[nH]2)cc1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.45
POLB P06746 1/20 0.43
HRH3 Q9Y5N1 1/20 0.40
CHRM3 P20309 1/20 0.38
CHEK2 O96017 1/20 0.35
HTR2A P28223 1/20 0.34

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
SCHEMBL1780328 1.00 LTA4H (0.45) LTA4HPOLBHRH3CHRM3CHEK2
Hydrochloric Acid SCHEMBL1778603 0.78 LTA4H (0.45) LTA4HPOLBHRH3CHRM3
Hydrochloric Acid SCHEMBL1778284 0.76 LTA4H (0.41) LTA4HPOLBHRH3CHRM3
Hydrochloric Acid SCHEMBL1778287 0.76 LTA4H (0.41) LTA4HPOLBHRH3CHRM3
Hydrochloric Acid SCHEMBL1778782 0.74 RAB9A (0.41) LTA4HCHRM3HTR2A
SCHEMBL23477699 0.73 POLB (0.67) LTA4HPOLBHRH3HTR2A
SCHEMBL1777086 0.70 LTA4H (0.45) LTA4HPOLBHRH3CHRM3HTR2A
SCHEMBL1777088 0.70 LTA4H (0.45) LTA4HPOLBHRH3CHRM3HTR2A
SCHEMBL1776359 0.70 LTA4H (0.45) LTA4HPOLBHRH3
SCHEMBL1776357 0.70 LTA4H (0.45) LTA4HPOLBHRH3

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 LTA4H 930/4885POLB 4624/4885HRH3 23/4885
US-20040215014-A1 Piperidine compounds for use as orexin receptor antagonist HCRTR2, HCRTR1, OXTR LTA4H 990/4885POLB 4779/4885HRH3 35/4885

“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.