SCHEMBL3170805

SCHEMBL3170805

CC(C)N(Cc1ncc[nH]1)c1cccc(F)c1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 9/20 0.73
CYP2D6 P10635 1/20 0.44
TSHR P16473 1/20 0.44
LMNA P02545 1/20 0.43
GLA P06280 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
FGFR1 P11362 1/20 0.40
FGFR2 P21802 1/20 0.40
FGFR4 P22455 1/20 0.40
FGFR3 P22607 1/20 0.40
KDR P35968 1/20 0.40

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
SCHEMBL4052335 0.88 TAAR1 (0.61) TAAR1CYP2D6TSHRLMNAGLA
SCHEMBL3161497 0.85 TAAR1 (0.74) TAAR1CYP2D6TSHRLMNAGLA
SCHEMBL3164766 0.84 TAAR1 (1.00) TAAR1CYP2D6TSHRLMNAGLA
SCHEMBL3155513 0.84 TAAR1 (0.73) TAAR1CYP2D6TSHRLMNAGLA
SCHEMBL3166144 0.84 TAAR1 (0.73) TAAR1CYP2D6TSHRLMNAGLA
SCHEMBL3161169 0.83 TAAR1 (0.74) TAAR1CYP2D6TSHRLMNAGLA
SCHEMBL3162944 0.83 TAAR1 (1.00) TAAR1CYP2D6TSHRLMNAGLA
SCHEMBL3166150 0.83 TAAR1 (0.78) TAAR1CYP2D6TSHRLMNAGLA
SCHEMBL3162891 0.83 TAAR1 (0.69) TAAR1CYP2D6TSHRLMNAGLA
SCHEMBL3170687 0.82 TAAR1 (0.70) TAAR1CYP2D6TSHRLMNAGLA

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 10 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
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 60/4885CYP2D6 150/4885TSHR 602/4885

“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.