SCHEMBL3176965

SCHEMBL3176965

COc1ccccc1C(N)Cc1ncc[nH]1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 9/20 0.44
GAA P10253 2/20 0.40
HTT P42858 2/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HTR1A P08908 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ADRA2A P08913 1/20 0.35
ADRA1A P35348 1/20 0.35
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35

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
SCHEMBL3164735 0.75 CYP1A2 (0.55) TAAR1GAAHTTKDM4ESMN1; SMN2
SCHEMBL2475493 0.75 GRIN2D (0.53) TAAR1KDM4ESMN1; SMN2RAB9A
SCHEMBL3176867 0.75 DYRK1A (0.39) TAAR1GAAHTTKDM4EALDH1A1
SCHEMBL2469604 0.75 ADRA2A (0.44) ADRA2AADRA1AIDO1TDO2
SCHEMBL3155805 0.74 TAAR1 (0.42) TAAR1KDM4ESMN1; SMN2ALDH1A1NPC1
SCHEMBL954052 0.73 ADRA2A (0.55) TAAR1GAAHTTKDM4ESMN1; SMN2
SCHEMBL7371933 0.73 TAAR1 (0.45) TAAR1SMN1; SMN2ADRA2A
SCHEMBL3285266 0.72 CYP2D6 (0.51) TAAR1IDO1TDO2
SCHEMBL12706123 0.72 IDO1 (0.52) TAAR1GAASMN1; SMN2ALDH1A1IDO1
SCHEMBL632198 0.71 HRH4 (0.51) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2076496-B1 AMINOMETHYL-2-IMIDAZOLES WITH AFFINITY WITH THE TRACE AMINE ASSOCIATED RECEPTORS HOFFMANN LA ROCHE (CH) 2010-03-31 EP disclosed
EP-2076496-A1 AMINOMETHYL-2-IMIDAZOLES WITH AFFINITY WITH THE TRACE AMINE ASSOCIATED RECEPTORS F. Hoffmann-Roche AG (CH) 2009-07-08 EP disclosed
US-20080096906-A1 AMINOMETHYL-2-IMIDAZOLES HOFFMANN-LA ROCHE INC. 2008-04-24 US disclosed
WO-2008046756-A1 AMINOMETHYL-2-IMIDAZOLES WITH AFFINITY WITH THE TRACE AMINE ASSOCIATED RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2008-04-24 WO 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 (1 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-20080096906-A1 AMINOMETHYL-2-IMIDAZOLES HTR2C, AHR, HAX1 TAAR1 60/4885GAA 4510/4885HTT 597/4885

“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.