SCHEMBL3527618

SCHEMBL3527618

Cc1nc(CN2CCc3ccc(C(F)(F)F)cc32)c[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XIAP P98170 1/20 0.39
BIRC2 Q13490 1/20 0.39
TRPV1 Q8NER1 3/20 0.38
NOTUM Q6P988 1/20 0.36
CNR2 P34972 1/20 0.36
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
SCD O00767 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
PHGDH O43175 1/20 0.34
ROCK1 Q13464 1/20 0.34
TRPV3 Q8NET8 1/20 0.34
HTR2B P41595 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
CRHR1 P34998 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
SOS1 Q07889 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL12359861 0.79 XIAP (0.39) XIAPROCK1SLC22A12CRHR1ALDH1A1
SCHEMBL3528547 0.78 TRPV1 (0.40) XIAPBIRC2TRPV1NOTUMCNR2
SCHEMBL8204549 0.78 XIAP (0.38) XIAPBIRC2TRPV1NOTUMCNR2
SCHEMBL12359855 0.77 NR3C1 (0.39) SLC22A12ALDH1A1GAA
SCHEMBL3528823 0.76 HDAC1 (0.39) TRPV1NOTUMHTR2AHTR2CROCK1
SCHEMBL3529086 0.76 TRPV1 (0.50) TRPV1NOTUMHTR2AHTR2CROCK1
SCHEMBL14260768 0.75 NOTUM (0.46) XIAPBIRC2NOTUMCNR2HTR2A
SCHEMBL8210904 0.75 TAAR1 (0.63) HTR2AHTR2C
SCHEMBL1736518 0.75 ALDH1A1 (0.42) XIAPBIRC2TRPV1NOTUMCNR2
SCHEMBL8490913 0.73 ACHE (0.48) TRPV1CNR2SLC22A12ALDH1A1MAPT

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 XIAP 4394/4885BIRC2 3236/4885TRPV1 487/4885

“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.