SCHEMBL894252

SCHEMBL894252

CC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)ncn1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMO O15229 12/20 0.55
ADORA3 P0DMS8 1/20 0.47
ABL1 P00519 1/20 0.45
BCR P11274 1/20 0.45
TRPV1 Q8NER1 1/20 0.43
FAAH O00519 1/20 0.43
HDAC1 Q13547 1/20 0.42

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
SCHEMBL894459 0.85 KMO (0.55) KMOABL1BCRFAAH
SCHEMBL4717327 0.80 ABL1 (0.57) ABL1BCRTRPV1FAAH
SCHEMBL601003 0.77 KMO (0.46) KMOABL1BCRTRPV1FAAH
SCHEMBL10223609 0.77 KMO (0.46) KMOABL1BCRTRPV1FAAH
SCHEMBL12954522 0.76 ABL1 (0.50) ABL1BCRTRPV1FAAH
SCHEMBL19489321 0.75 KMO (0.46) KMO
SCHEMBL14742105 0.74 KMO (0.75) KMO
SCHEMBL17350078 0.74 CTSA (0.51) ADORA3
SCHEMBL1011817 0.74 ABL1 (0.51) ABL1BCRTRPV1FAAH
SCHEMBL3721382 0.74 CASP1 (0.46) KMOADORA3ABL1BCRTRPV1

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-8614201-B2 Heterocyclic amides as modulators of TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2013-12-24 US disclosed
US-20120083474-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 US disclosed
US-20120083474-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 US disclosed
WO-2010141805-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2010-12-09 WO disclosed
WO-2010141805-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2010-12-09 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-20120083474-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 TRPA1, TRPV1, TRPV2 KMO 1781/4885ADORA3 257/4885ABL1 3488/4885

“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.