SCHEMBL3170916

SCHEMBL3170916

CCN(Cc1ncc[nH]1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 11/20 1.00
TSHR P16473 2/20 0.72
CYP2D6 P10635 1/20 0.72
LMNA P02545 1/20 0.70
GLA P06280 1/20 0.70
BLM P54132 1/20 0.70
PMP22 Q01453 1/20 0.70
SMN1; SMN2 Q16637 1/20 0.70
HTR1A P08908 1/20 0.43
CNR2 P34972 1/20 0.40
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL3171735 0.84 TAAR1 (0.73) TAAR1TSHRCYP2D6LMNAGLA
SCHEMBL3166234 0.84 TAAR1 (0.71) TAAR1TSHRCYP2D6LMNAGLA
SCHEMBL3164174 0.84 TAAR1 (0.71) TAAR1TSHRCYP2D6LMNAGLA
SCHEMBL3155837 0.84 TSHR (1.00) TAAR1TSHRCYP2D6LMNAGLA
SCHEMBL3164851 0.84 TAAR1 (0.72) TAAR1TSHRCYP2D6LMNAGLA
SCHEMBL3162344 0.83 TAAR1 (0.71) TAAR1TSHRCYP2D6LMNAGLA
SCHEMBL3164555 0.83 TAAR1 (0.70) TAAR1TSHRCYP2D6LMNAGLA
SCHEMBL3155735 0.83 TAAR1 (0.70) TAAR1TSHRCYP2D6LMNAGLA
SCHEMBL3155867 0.83 TAAR1 (0.70) TAAR1TSHRCYP2D6LMNAGLA
SCHEMBL3162998 0.82 TAAR1 (0.69) TAAR1TSHRCYP2D6LMNAGLA

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 11 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 claimed
EP-2076496-B1 AMINOMETHYL-2-IMIDAZOLES WITH AFFINITY WITH THE TRACE AMINE ASSOCIATED RECEPTORS HOFFMANN LA ROCHE (CH) 2010-03-31 EP claimed
CN-101528709-A Aminomethyl-2-imidazoles with affinity with the trace amine associated receptors HOFFMANN LA ROCHE (CH) 2009-09-09 CN claimed
EP-2076496-A1 AMINOMETHYL-2-IMIDAZOLES WITH AFFINITY WITH THE TRACE AMINE ASSOCIATED RECEPTORS F. Hoffmann-Roche AG (CH) 2009-07-08 EP claimed
US-20080096906-A1 AMINOMETHYL-2-IMIDAZOLES HOFFMANN-LA ROCHE INC. 2008-04-24 US claimed
WO-2008046756-A1 AMINOMETHYL-2-IMIDAZOLES WITH AFFINITY WITH THE TRACE AMINE ASSOCIATED RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2008-04-24 WO claimed
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-1601966-B1 METHODS AND COMPOSITIONS FOR PURIFICATION OF NUCLEIC ACID FROM A HOST CELL QIAGEN NORTH AMERICAN HOLDINGS (US) 2009-04-29 EP disclosed
US-20080096906-A1 AMINOMETHYL-2-IMIDAZOLES HOFFMANN-LA ROCHE INC. 2008-04-24 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 (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.