SCHEMBL1330170

SCHEMBL1330170

O=C(NCCc1ccc(Cl)cc1)c1ccc(Cl)nc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.80
RAB9A P51151 6/20 0.80
SMN1; SMN2 Q16637 2/20 0.80
KMT2A Q03164 4/20 0.74
MEN1 O00255 3/20 0.74
MAPT P10636 2/20 0.65
CYP1A2 P05177 2/20 0.65
CYP2D6 P10635 2/20 0.65
GAA P10253 1/20 0.65
CYP2C19 P33261 1/20 0.65
GFER P55789 1/20 0.65
MCHR1 Q99705 2/20 0.59
L3MBTL1 Q9Y468 3/20 0.58
PSEN1 P49768 1/20 0.56
PSEN2 P49810 1/20 0.56
APH1B Q8WW43 1/20 0.56
NCSTN Q92542 1/20 0.56
APH1A Q96BI3 1/20 0.56
PSENEN Q9NZ42 1/20 0.56
HDAC3 O15379 1/20 0.54

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
SCHEMBL7703395 0.89 RAB9A (1.00) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL1331793 0.83 NPC1 (0.79) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL4041461 0.81 KMT2A (0.63) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL20641182 0.79 RAB9A (0.65) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL8288231 0.79 RAB9A (0.65) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL3407381 0.79 RAB9A (0.65) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL1368482 0.79 NPC1 (1.00) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL8668493 0.79 NPC1 (1.00) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL12020749 0.78 NPC1 (0.60) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL1570073 0.78 NPC1 (0.75) NPC1RAB9ASMN1; SMN2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110281871-A1 TAAR1 LIGANDS GALLEY GUIDO (DE) 2011-11-17 US disclosed
US-20110281871-A1 TAAR1 LIGANDS GALLEY GUIDO (DE) 2011-11-17 US disclosed
US-20110281871-A1 TAAR1 LIGANDS GALLEY GUIDO (DE) 2011-11-17 US disclosed
US-8008305-B2 TAAR1 ligands HOFFMANN-LA ROCHE INC. (US) 2011-08-30 US disclosed
US-8008305-B2 TAAR1 ligands HOFFMANN-LA ROCHE INC. (US) 2011-08-30 US disclosed
US-8008305-B2 TAAR1 ligands HOFFMANN-LA ROCHE INC. (US) 2011-08-30 US disclosed
CN-101784515-A Pyridinecarboxamide and benzamide derivatives as taar1 ligands HOFFMANN LA ROCHE 2010-07-21 CN disclosed
EP-2185502-A1 PYRIDINECARBOXAMIDE AND BENZAMIDE DERIVATIVES AS TAAR1 LIGANDS F. Hoffmann-Roche AG (CH) 2010-05-19 EP disclosed
WO-2009019149-A1 PYRIDINECARBOXAMIDE AND BENZAMIDE DERIVATIVES AS TAAR1 LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-12 WO disclosed
WO-2009019149-A1 PYRIDINECARBOXAMIDE AND BENZAMIDE DERIVATIVES AS TAAR1 LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-12 WO disclosed
US-20090036452-A1 TAAR1 LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 US disclosed
US-20090036452-A1 TAAR1 LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 US disclosed
US-20090036452-A1 TAAR1 LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 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-20090036452-A1 TAAR1 LIGANDS TAAR1, TAAR5, NPSR1 NPC1 1378/4885RAB9A 2200/4885SMN1; SMN2 2022/4885
US-20110281871-A1 TAAR1 LIGANDS TAAR1, TAAR5, NPSR1 NPC1 1378/4885RAB9A 2200/4885SMN1; SMN2 2022/4885

“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.