SCHEMBL3176973

SCHEMBL3176973

COc1ccccc1CNCc1ncc[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 1/20 0.54
CHRM2 P08172 13/20 0.50
BCHE P06276 5/20 0.50
ACHE P22303 5/20 0.50
CHRM4 P08173 5/20 0.50
CHRM5 P08912 5/20 0.50
CHRM1 P11229 5/20 0.50
CHRM3 P20309 5/20 0.50
GRIN1 Q05586 4/20 0.50
GRIN2A Q12879 4/20 0.50
RECQL P46063 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2D6 P10635 2/20 0.50
TP53 P04637 1/20 0.50
TSHR P16473 1/20 0.50
THPO P40225 1/20 0.50
MEN1 O00255 1/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL954052 0.82 ADRA2A (0.55) KDM4EALDH1A1SMN1; SMN2
SCHEMBL23107884 0.81 TAAR1 (0.51) KDM4EALDH1A1CHRM2MEN1MAPT
SCHEMBL5695121 0.79 ALDH1A1 (0.79) KDM4EALDH1A1CHRM2BCHEACHE
SCHEMBL1848615 0.78 HSD17B10 (0.58) KDM4EALDH1A1CYP3A4CYP2D6TP53
SCHEMBL2469606 0.78 TAAR1 (0.56) KDM4EALDH1A1CHRM2TP53MEN1
SCHEMBL2474802 0.76 TAAR1 (0.57) ALDH1A1SMN1; SMN2
SCHEMBL1705843 0.75 KDM4E (0.79) KDM4EALDH1A1CHRM2BCHEACHE
SCHEMBL3164737 0.74 CHRM2 (0.47) KDM4EALDH1A1CHRM2BCHEMEN1
SCHEMBL2475485 0.73 TAAR1 (0.62) KDM4EALDH1A1BCHECYP2D6TSHR
SCHEMBL4918396 0.72 CHRM2 (0.79) KDM4EALDH1A1CHRM2BCHEACHE

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 KDM4E 905/4885ALDH1A1 987/4885CHRM2 19/4885

“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.