SCHEMBL1331665

SCHEMBL1331665

COc1cccc(CCNC(=O)c2ccc(N3CCN(C)CC3)nc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 3/20 0.59
RAB9A P51151 3/20 0.58
NPC1 O15118 3/20 0.58
ALDH1A1 P00352 2/20 0.58
MAPT P10636 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
LMNA P02545 1/20 0.58
TSHR P16473 1/20 0.58
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA7 P43166 1/20 0.53
CA9 Q16790 1/20 0.53
CA14 Q9ULX7 1/20 0.53
KDM4E B2RXH2 1/20 0.52
TP53 P04637 1/20 0.52
HPGD P15428 1/20 0.52
HTT P42858 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
ROCK2 O75116 1/20 0.51
ROCK1 Q13464 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
SCHEMBL1330302 0.91 RAB9A (0.62) DRD4RAB9ANPC1ALDH1A1MAPT
SCHEMBL1331002 0.88 KMT2A (0.63) DRD4RAB9ANPC1ALDH1A1MAPT
SCHEMBL1330392 0.86 RAB9A (0.60) DRD4RAB9ANPC1ALDH1A1MAPT
SCHEMBL1331055 0.86 RAB9A (0.77) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL7703129 0.85 RAB9A (0.75) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL1330557 0.84 SCD (0.59) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL1330880 0.83 NPC1 (0.64) DRD4RAB9ANPC1ALDH1A1MAPT
SCHEMBL1331375 0.82 RAB9A (0.62) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL1329839 0.82 NPC1 (0.65) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL3791932 0.81 ALDH1A1 (0.60) DRD4RAB9AALDH1A1SMN1; SMN2LMNA

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 DRD4 864/4885RAB9A 2200/4885NPC1 1378/4885
US-20110281871-A1 TAAR1 LIGANDS TAAR1, TAAR5, NPSR1 DRD4 864/4885RAB9A 2200/4885NPC1 1378/4885

“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.