SCHEMBL3175805

SCHEMBL3175805

NC(Cc1ncc[nH]1)c1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.40
DPP8 Q6V1X1 1/20 0.40
TAAR1 Q96RJ0 7/20 0.38
KDM4E B2RXH2 1/20 0.37
RAB9A P51151 1/20 0.37
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
HTR2B P41595 1/20 0.36
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
ALOX15 P16050 1/20 0.35
NAMPT P43490 1/20 0.34

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
SCHEMBL3156008 0.84 KDM4E (0.52) TAAR1KDM4ERAB9AGRIN2DGRIN3B
SCHEMBL2475493 0.83 GRIN2D (0.53) TAAR1KDM4ERAB9AGRIN2DGRIN3B
SCHEMBL3164735 0.80 CYP1A2 (0.55) TAAR1KDM4E
SCHEMBL7377378 0.76 TAAR1 (0.37) TAAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7374505 0.75 ALOX15 (0.36) TAAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3165342 0.73 TAAR1 (0.49) TAAR1KDM4ERAB9AGRIN2DGRIN3B
SCHEMBL10654795 0.73
SCHEMBL4775871 0.73 ALOX15 (0.45) TAAR1ALOX15
SCHEMBL2466730 0.71 F2RL1 (0.40)
Bromide SCHEMBL31612168 0.71 ALOX15 (0.44) TAAR1ALOX15

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 DPP4 3712/4885DPP8 3869/4885TAAR1 60/4885

“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.