SCHEMBL1330165

SCHEMBL1330165

O=C(NCCc1ccc(OCc2ccccc2)cc1)c1ccc(N2CCNCC2)nc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.62
RAB9A P51151 6/20 0.62
SMN1; SMN2 Q16637 5/20 0.62
MAPT P10636 4/20 0.62
ALDH1A1 P00352 2/20 0.62
LMNA P02545 1/20 0.62
TSHR P16473 1/20 0.62
KDM4E B2RXH2 1/20 0.56
TP53 P04637 1/20 0.56
HPGD P15428 1/20 0.56
HTT P42858 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
SCD O00767 1/20 0.54
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
EGFR P00533 1/20 0.49
NTRK1 P04629 1/20 0.49
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47

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
SCHEMBL1330447 0.91 RAB9A (0.73) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL1331655 0.90 NPC1 (0.62) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL1329839 0.89 NPC1 (0.65) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL13943862 0.89 EGFR (0.49) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL1331635 0.85 ALDH1A1 (0.60) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL3641612 0.84 NPC1 (0.55) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL1331493 0.83 NPC1 (0.59) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL1331937 0.81 SMN1; SMN2 (0.65) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL1329883 0.81 ALDH1A1 (0.64) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL1331070 0.80 NPC1 (0.57) NPC1RAB9ASMN1; SMN2MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110281871-A1 TAAR1 LIGANDS GALLEY GUIDO (DE) 2011-11-17 US claimed
US-8008305-B2 TAAR1 ligands HOFFMANN-LA ROCHE INC. (US) 2011-08-30 US claimed
EP-2185502-A1 PYRIDINECARBOXAMIDE AND BENZAMIDE DERIVATIVES AS TAAR1 LIGANDS F. Hoffmann-Roche AG (CH) 2010-05-19 EP claimed
WO-2009019149-A1 PYRIDINECARBOXAMIDE AND BENZAMIDE DERIVATIVES AS TAAR1 LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-12 WO claimed
US-20090036452-A1 TAAR1 LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 US claimed
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
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
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.