SCHEMBL1331001

SCHEMBL1331001

CN1CCN(c2ccc(C(=O)NCCc3ccc(Cl)cc3)cn2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.61
NPC1 O15118 6/20 0.61
MAPT P10636 4/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
ALDH1A1 P00352 2/20 0.61
LMNA P02545 1/20 0.61
TSHR P16473 1/20 0.61
KDM4E B2RXH2 1/20 0.55
TP53 P04637 1/20 0.55
HPGD P15428 1/20 0.55
HTT P42858 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
SCD O00767 1/20 0.53
MAPK8 P45983 2/20 0.51
CYP2D6 P10635 2/20 0.51
CYP1A2 P05177 1/20 0.51
GAA P10253 1/20 0.51
CYP2C19 P33261 1/20 0.51
GFER P55789 1/20 0.51
MCHR1 Q99705 3/20 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
SCHEMBL6708288 0.91 RAB9A (0.61) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL1331780 0.89 RAB9A (0.64) RAB9ANPC1SMN1; SMN2ALDH1A1TSHR
SCHEMBL1331055 0.89 RAB9A (0.77) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL1329859 0.88 DRD4 (0.57) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL7703129 0.88 RAB9A (0.75) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL1330392 0.88 RAB9A (0.60) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL1331002 0.87 KMT2A (0.63) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL1330315 0.87 RAB9A (0.68) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL1331493 0.87 NPC1 (0.59) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL1329852 0.85 MAPT (0.59) RAB9ANPC1MAPTSMN1; 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 17 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
CN-101784515-A Pyridinecarboxamide and benzamide derivatives as taar1 ligands HOFFMANN LA ROCHE 2010-07-21 CN 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
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 RAB9A 2200/4885NPC1 1378/4885MAPT 1820/4885
US-20110281871-A1 TAAR1 LIGANDS TAAR1, TAAR5, NPSR1 RAB9A 2200/4885NPC1 1378/4885MAPT 1820/4885

“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.