SCHEMBL3166234

SCHEMBL3166234

CCN(Cc1ncc[nH]1)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.71
TSHR P16473 2/20 0.60
CYP2D6 P10635 1/20 0.60
SMN1; SMN2 Q16637 2/20 0.59
LMNA P02545 1/20 0.59
GLA P06280 1/20 0.59
BLM P54132 1/20 0.59
PMP22 Q01453 1/20 0.59
NOX1 Q9Y5S8 2/20 0.52
BCHE P06276 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TSPO P30536 1/20 0.43
NPC1 O15118 1/20 0.42
HTT P42858 1/20 0.42
GRM2 Q14416 1/20 0.42

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
SCHEMBL3164367 0.87 TAAR1 (0.67) TAAR1TSHRCYP2D6SMN1; SMN2LMNA
SCHEMBL3170916 0.84 TAAR1 (1.00) TAAR1TSHRCYP2D6SMN1; SMN2LMNA
SCHEMBL3162998 0.82 TAAR1 (0.69) TAAR1TSHRCYP2D6SMN1; SMN2LMNA
SCHEMBL11268094 0.80 NOX1 (0.74) TSHRSMN1; SMN2LMNANOX1BCHE
SCHEMBL14189388 0.78 TAAR1 (0.71) TAAR1
SCHEMBL3171735 0.76 TAAR1 (0.73) TAAR1TSHRCYP2D6SMN1; SMN2LMNA
SCHEMBL11702882 0.76 TAAR1 (0.73) TAAR1TSHRCYP2D6SMN1; SMN2LMNA
SCHEMBL3155837 0.76 TSHR (1.00) TAAR1TSHRCYP2D6SMN1; SMN2LMNA
SCHEMBL3164174 0.76 TAAR1 (0.71) TAAR1TSHRCYP2D6SMN1; SMN2LMNA
SCHEMBL633148 0.76 NOX1 (0.52) TAAR1TSHRSMN1; SMN2LMNANOX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101528709-B Aminomethyl-2-imidazoles with affinity with the trace amine associated receptors F. HOFFMANN-LA ROCHE AG (CH) 2012-02-01 CN disclosed
EP-2076496-B1 AMINOMETHYL-2-IMIDAZOLES WITH AFFINITY WITH THE TRACE AMINE ASSOCIATED RECEPTORS HOFFMANN LA ROCHE (CH) 2010-03-31 EP disclosed
CN-101528709-A Aminomethyl-2-imidazoles with affinity with the trace amine associated receptors HOFFMANN LA ROCHE (CH) 2009-09-09 CN 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
US-20080096906-A1 AMINOMETHYL-2-IMIDAZOLES HOFFMANN-LA ROCHE INC. 2008-04-24 US 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
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 60/4885TSHR 602/4885CYP2D6 150/4885

“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.