SCHEMBL1778079

SCHEMBL1778079

c1ccc(-c2csc(C[C@@H]3CCCCN3)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 2/20 0.47
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 2/20 0.47
LOXL2 Q9Y4K0 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
CD74 P04233 1/20 0.46
MIF P14174 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
LTA4H P09960 4/20 0.42
HTR3A P46098 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL1778077 1.00 POLB (0.52) POLBALDH1A1MEN1MAPTKMT2A
SCHEMBL1777306 0.86 KDM4E (0.47) POLBALDH1A1MEN1MAPTKMT2A
SCHEMBL1777304 0.86 KDM4E (0.47) POLBALDH1A1MEN1MAPTKMT2A
SCHEMBL9046674 0.83 LTA4H (0.46) POLBALDH1A1MEN1MAPTKMT2A
SCHEMBL1777629 0.83 NPC1 (0.52) POLBALDH1A1MAPTNPC1RAB9A
SCHEMBL1777625 0.83 NPC1 (0.52) POLBALDH1A1MAPTNPC1RAB9A
SCHEMBL5097608 0.80 LOXL2 (0.43) ALDH1A1MEN1MAPTKMT2ALMNA
SCHEMBL1598710 0.79 NPC1 (0.54) POLBALDH1A1MEN1MAPTKMT2A
SCHEMBL2308438 0.75 HPGDS (0.49) POLBALDH1A1MEN1MAPTKMT2A
SCHEMBL2308432 0.75 HPGDS (0.49) POLBALDH1A1MEN1MAPTKMT2A

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 POLB 4624/4885ALDH1A1 1534/4885MEN1 2317/4885
US-20040215014-A1 Piperidine compounds for use as orexin receptor antagonist HCRTR2, HCRTR1, OXTR POLB 4779/4885ALDH1A1 1449/4885MEN1 1974/4885

“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.