SCHEMBL3166154

SCHEMBL3166154

c1ccc(NCc2ncc[nH]2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 7/20 1.00
KLK1 P06870 1/20 0.59
KLK5 Q9Y337 1/20 0.59
KDM4E B2RXH2 1/20 0.54
MEN1 O00255 1/20 0.54
ALDH1A1 P00352 1/20 0.54
GAA P10253 1/20 0.54
MAPT P10636 1/20 0.54
KMT2A Q03164 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
MAOA P21397 2/20 0.50
MAOB P27338 2/20 0.50
AURKA O14965 1/20 0.46
RPS6KB1 P23443 1/20 0.46
ROCK2 O75116 1/20 0.45
GRK2 P25098 1/20 0.45
CYP2D6 P10635 1/20 0.45
TSHR P16473 1/20 0.45
NISCH Q9Y2I1 1/20 0.45
LMNA P02545 1/20 0.44

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
SCHEMBL29920801 0.82 TAAR1 (0.68) TAAR1KLK1KLK5KDM4EMEN1
SCHEMBL3164681 0.82 TAAR1 (0.68) TAAR1KLK1KLK5KDM4EMEN1
SCHEMBL3165373 0.82 TAAR1 (0.68) TAAR1KLK1KLK5KDM4EMEN1
SCHEMBL2466732 0.82 TAAR1 (0.70) TAAR1KLK1KLK5KDM4EMEN1
SCHEMBL4776175 0.82 TAAR1 (0.70) TAAR1KLK1KLK5KDM4EMEN1
SCHEMBL6298733 0.82 TAAR1 (0.70) TAAR1KLK1KLK5KDM4EMEN1
SCHEMBL4776719 0.82 TAAR1 (0.70) TAAR1KLK1KLK5KDM4EMEN1
SCHEMBL2472567 0.82 TAAR1 (0.70) TAAR1KLK1KLK5KDM4EMEN1
SCHEMBL2471283 0.82 TAAR1 (0.70) TAAR1KLK1KLK5KDM4EMEN1
SCHEMBL2469427 0.82 TAAR1 (0.70) TAAR1KLK1KLK5MEN1ALDH1A1

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
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
EP-0564356-A1 4-phenylaminomethylimidazole derivatives, process for their preparation, angiotensin II receptor antagonists and their application in therapy FOURNIER INDUSTRIE ET SANTE (FR) 1993-10-06 EP 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-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
US-7279497-B2 Benzopyran derivatives substituted with secondary amines including imidazole, their preparation and pharmaceutical compositions containing them KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2007-10-09 US disclosed
US-5837702-A HAVING POTASSIUM CHANNEL ACTIVATING ACTIVITY USEFUL AS CARDIOVASCULAR AGENTS AND TREATMENT OF ISCHEMIA BRISTOL-MYERS SQUIBB CO. (US) 1998-11-17 US disclosed
EP-0648758-A1 4-Arylamino-benzopyran and related compounds BRISTOL-MYERS SQUIBB COMPANY (US) 1995-04-19 EP disclosed
EP-0564356-A1 4-phenylaminomethylimidazole derivatives, process for their preparation, angiotensin II receptor antagonists and their application in therapy FOURNIER INDUSTRIE ET SANTE (FR) 1993-10-06 EP disclosed
EP-0564356-A1 4-phenylaminomethylimidazole derivatives, process for their preparation, angiotensin II receptor antagonists and their application in therapy FOURNIER INDUSTRIE ET SANTE (FR) 1993-10-06 EP disclosed
EP-0081324-B1 SUBSTITUTED PHARMACOLOGICALLY ACITVE IMIDAZOLE DERIVATIVES AND THEIR PREPARATION AND USE Farmos Group Ltd. (FI) 1986-08-06 EP 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 60/4885KLK1 3778/4885KLK5 3901/4885

“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.