SCHEMBL3528547

SCHEMBL3528547

FC(F)(F)c1ccc2c(c1)N(Cc1c[nH]cn1)CC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.40
XIAP P98170 1/20 0.38
BIRC2 Q13490 1/20 0.38
CNR2 P34972 1/20 0.37
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
SCD O00767 1/20 0.36
HTR2B P41595 1/20 0.36
ROCK1 Q13464 1/20 0.35
NOTUM Q6P988 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 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
SCHEMBL13229489 0.91 HRH3 (0.43) TRPV1SCDROCK1NPC1MAPT
SCHEMBL13229487 0.88 HRH3 (0.45) TRPV1CNR2HRH3CDK9
SCHEMBL3531520 0.85 CHRM2 (0.45) TRPV1XIAPHTR2CSCDHTR2B
SCHEMBL3526848 0.82 HDAC1 (0.40) TRPV1XIAPBIRC2HTR2AHTR2C
SCHEMBL12359567 0.82 MTNR1A (0.37) TRPV1HTR2AHTR2CHTR2BTAAR1
SCHEMBL12359744 0.82 CHRM2 (0.40) TRPV1TAAR1MAPT
SCHEMBL3530913 0.82 HTR2A (0.48) TRPV1XIAPBIRC2HTR2AHTR2C
SCHEMBL12359503 0.82 TRPV1 (0.34) TRPV1TAAR1CDK9
SCHEMBL13229486 0.81 TRPV1 (0.45) TRPV1TAAR1MAPK1CDK9
SCHEMBL13229483 0.81 HRH3 (0.39) TRPV1SCDHRH3HDAC6CDK9

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080139533-A1 SUBSTITUTED 4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-12 US claimed
US-7858652-B2 Substituted 4-imidazoles HOFFMANN-LA ROCHE INC. (US) 2010-12-28 US disclosed
EP-2084152-A2 SUBSTITUTED 4-IMIDAZOLES F. Hoffmann-Roche AG (CH) 2009-08-05 EP disclosed
US-20080139533-A1 SUBSTITUTED 4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-12 US disclosed
WO-2008058867-A2 SUBSTITUTED 4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-05-22 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-20080139533-A1 SUBSTITUTED 4-IMIDAZOLES TAAR1, TAAR5, TACR1 TRPV1 487/4885XIAP 4394/4885BIRC2 3236/4885

“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.