SCHEMBL1777658

SCHEMBL1777658

Cn1ncc(-c2ccc(F)cc2)c1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 2/20 0.42
BCL2L1 Q07817 1/20 0.42
BAD Q92934 1/20 0.42
STAT1 P42224 1/20 0.41
KDM4E B2RXH2 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MAPK14 Q16539 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAP4K4 O95819 1/20 0.40
LPAR3 Q9UBY5 1/20 0.40
S1PR2 O95136 2/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CASP3 P42574 1/20 0.39
BLM P54132 1/20 0.39
NCOA1 Q15788 1/20 0.39

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
SCHEMBL9955454 0.85 LPAR1 (0.47) LPAR1KDM4EKMT2ANPC1RAB9A
SCHEMBL9955571 0.81 SMN1; SMN2 (0.49) STAT1KDM4EMEN1KMT2ANPC1
SCHEMBL16003304 0.80 PDE10A (0.48) KDM4ENPC1GAAALDH1A1
SCHEMBL9956226 0.80 PTGS2 (0.58) KDM4EMEN1KMT2AALDH1A1ITGB1
SCHEMBL9956557 0.78 PLK4 (0.44) GAAPCSK9
SCHEMBL27926208 0.78 LPAR1 (0.36) LPAR1SMN1; SMN2GAAITGB1ITGA4
SCHEMBL27996601 0.77 CYP11B2 (0.43) LPAR1LPAR3S1PR2GAAALDH1A1
SCHEMBL4834099 0.75 CCNC (0.43) LPAR1MAPTLPAR3S1PR2ITGB1
SCHEMBL16003300 0.75 PDE10A (0.50) KDM4EGAAALDH1A1PCSK9
SCHEMBL4834083 0.75 CCNC (0.43) LPAR1MAPTLPAR3S1PR2ITGB1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104411690-A Substituted pyrazole compounds as LPAR antagonists HOFFMANN LA ROCHE 2015-03-11 CN disclosed
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 LPAR1 109/4885BCL2L1 2925/4885BAD 683/4885
US-20040215014-A1 Piperidine compounds for use as orexin receptor antagonist HCRTR2, HCRTR1, OXTR LPAR1 87/4885BCL2L1 3121/4885BAD 558/4885

“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.