SCHEMBL1331002

SCHEMBL1331002

COc1ccc(CCNC(=O)c2ccc(N3CCN(C)CC3)nc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.63
MEN1 O00255 1/20 0.63
RAB9A P51151 5/20 0.59
MAPT P10636 4/20 0.59
NPC1 O15118 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
ALDH1A1 P00352 2/20 0.59
LMNA P02545 2/20 0.59
TSHR P16473 1/20 0.59
HDAC2 Q92769 1/20 0.56
KDM4E B2RXH2 2/20 0.53
TP53 P04637 1/20 0.53
HPGD P15428 1/20 0.53
HTT P42858 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
ME2 P23368 1/20 0.53
ME1 P48163 1/20 0.53
ME3 Q16798 1/20 0.53
SCD O00767 1/20 0.52
DRD4 P21917 1/20 0.51

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
SCHEMBL1330880 0.89 NPC1 (0.64) KMT2AMEN1RAB9AMAPTNPC1
SCHEMBL1331665 0.88 DRD4 (0.59) KMT2AMEN1RAB9AMAPTNPC1
SCHEMBL1331001 0.87 RAB9A (0.61) KMT2AMEN1RAB9AMAPTNPC1
SCHEMBL1329839 0.87 NPC1 (0.65) KMT2AMEN1RAB9AMAPTNPC1
SCHEMBL1331055 0.87 RAB9A (0.77) KMT2AMEN1RAB9AMAPTNPC1
Hydrochloric Acid SCHEMBL7703129 0.86 RAB9A (0.75) KMT2AMEN1RAB9AMAPTNPC1
SCHEMBL1330315 0.85 RAB9A (0.68) KMT2AMEN1RAB9AMAPTNPC1
SCHEMBL1330302 0.81 RAB9A (0.62) KMT2AMEN1RAB9AMAPTNPC1
SCHEMBL1331375 0.81 RAB9A (0.62) KMT2AMEN1RAB9AMAPTNPC1
SCHEMBL9377253 0.81 RAB9A (0.55) RAB9AMAPTNPC1SMN1; SMN2ALDH1A1

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 14 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
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 KMT2A 1431/4885MEN1 1900/4885RAB9A 2200/4885
US-20110281871-A1 TAAR1 LIGANDS TAAR1, TAAR5, NPSR1 KMT2A 1431/4885MEN1 1900/4885RAB9A 2200/4885

“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.