SCHEMBL1777629

SCHEMBL1777629

Fc1ccccc1-c1csc(C[C@@H]2CCCCN2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
ALDH1A1 P00352 1/20 0.52
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
HTR3A P46098 1/20 0.46
POLB P06746 1/20 0.45
MPL P40238 1/20 0.45
HTR2A P28223 1/20 0.39
PIM1 P11309 1/20 0.38
PIM3 Q86V86 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
STAT1 P42224 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
SPHK2 Q9NRA0 1/20 0.38
SPHK1 Q9NYA1 1/20 0.38
VCP P55072 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL1777625 1.00 NPC1 (0.52) NPC1RAB9ASMN1; SMN2ALDH1A1GAA
SCHEMBL1778077 0.83 POLB (0.52) NPC1RAB9AALDH1A1MAPTHTR3A
SCHEMBL1778079 0.83 POLB (0.52) NPC1RAB9AALDH1A1MAPTHTR3A
SCHEMBL1777306 0.79 KDM4E (0.47) SMN1; SMN2ALDH1A1MAPTPOLBHTR2A
SCHEMBL1777304 0.79 KDM4E (0.47) SMN1; SMN2ALDH1A1MAPTPOLBHTR2A
SCHEMBL9046674 0.79 LTA4H (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL20828122 0.70 POLB (0.60) POLBHTR2AHRH3
SCHEMBL1255817 0.69 POLB (0.51) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL23477694 0.69 POLB (0.58) POLBHTR2AHRH3
SCHEMBL30475153 0.69 POLB (0.58) POLBHTR2AHRH3

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 NPC1 1015/4885RAB9A 1592/4885SMN1; SMN2 3381/4885
US-20040215014-A1 Piperidine compounds for use as orexin receptor antagonist HCRTR2, HCRTR1, OXTR NPC1 706/4885RAB9A 1985/4885SMN1; SMN2 3363/4885

“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.