SCHEMBL1330190

SCHEMBL1330190

CN1CCN(c2ccc(C(=O)NCc3ccccc3)cn2)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.67
ALDH1A1 P00352 5/20 0.67
SMN1; SMN2 Q16637 4/20 0.67
KDM4E B2RXH2 2/20 0.67
MAPK1 P28482 1/20 0.67
NPC1 O15118 4/20 0.60
TSHR P16473 2/20 0.60
MAPT P10636 2/20 0.60
LMNA P02545 1/20 0.60
MAPK8 P45983 2/20 0.57
HPGD P15428 3/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
HDAC3 O15379 1/20 0.56
HDAC2 Q92769 1/20 0.56
PKM P14618 1/20 0.55
HPGDS O60760 4/20 0.55
TP53 P04637 1/20 0.53
HTT P42858 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
HDAC1 Q13547 1/20 0.53

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
SCHEMBL1331421 0.90 SMN1; SMN2 (0.56) RAB9AALDH1A1SMN1; SMN2KDM4EMAPK1
SCHEMBL1331780 0.88 RAB9A (0.64) RAB9AALDH1A1SMN1; SMN2KDM4EMAPK1
SCHEMBL1331055 0.88 RAB9A (0.77) RAB9AALDH1A1SMN1; SMN2KDM4EMAPK1
Hydrochloric Acid SCHEMBL7703129 0.87 RAB9A (0.75) RAB9AALDH1A1SMN1; SMN2KDM4EMAPK1
SCHEMBL1329883 0.86 ALDH1A1 (0.64) RAB9AALDH1A1SMN1; SMN2KDM4EMAPK1
SCHEMBL25428504 0.84 FLT3 (0.53) RAB9AALDH1A1SMN1; SMN2KDM4EMAPK1
SCHEMBL29524057 0.84 FLT3 (0.53) RAB9AALDH1A1SMN1; SMN2KDM4EMAPK1
SCHEMBL6139868 0.84 ALDH1A1 (0.67) RAB9AALDH1A1SMN1; SMN2KDM4EMAPK1
SCHEMBL1330690 0.83 SMN1; SMN2 (0.60) RAB9AALDH1A1SMN1; SMN2KDM4EMAPK1
SCHEMBL1330315 0.82 RAB9A (0.68) RAB9AALDH1A1SMN1; SMN2KDM4EMAPK1

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
CN-101784515-A Pyridinecarboxamide and benzamide derivatives as taar1 ligands HOFFMANN LA ROCHE 2010-07-21 CN 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
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
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 2200/4885ALDH1A1 612/4885SMN1; SMN2 2022/4885
US-20110281871-A1 TAAR1 LIGANDS TAAR1, TAAR5, NPSR1 RAB9A 2200/4885ALDH1A1 612/4885SMN1; 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.