SCHEMBL3226499

SCHEMBL3226499

COC(=O)C(CC1CCN(C)CC1)c1ccc(C=CC(=O)N(NC(=O)OC(C)(C)C)c2ccccc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 6/20 0.36
BCHE P06276 2/20 0.36
ACHE P22303 2/20 0.36
NR1H4 Q96RI1 3/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
KMT2A Q03164 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
HTT P42858 1/20 0.33
STAT6 P42226 1/20 0.33
HTR2A P28223 1/20 0.33
CCR5 P51681 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
SCHEMBL3229865 0.94 PPARG (0.37) TRPM8BCHEACHENR1H4KDM4E
SCHEMBL3230458 0.84 BCL9 (0.38) TRPM8NR1H4KMT2ASTAT6
SCHEMBL1968531 0.81 HDAC1 (0.43) BCHEACHE
SCHEMBL3226504 0.81 HDAC1 (0.43) BCHEACHE
SCHEMBL1968042 0.80 TRPM8 (0.41) TRPM8NR1H4PPARGPPARA
SCHEMBL1119874 0.79 TRPM8 (0.44) TRPM8NR1H4KMT2APPARGPPARA
SCHEMBL3226412 0.79 BCL9 (0.39) TRPM8NR1H4KMT2APPARGPPARA
SCHEMBL1119726 0.78 TRPM8 (0.41) TRPM8NR1H4KDM4EGLAKMT2A
SCHEMBL1120016 0.77 TRPM8 (0.38) TRPM8NR1H4KMT2APPARGPPARA
SCHEMBL1119725 0.76 TRPM8 (0.43) TRPM8NR1H4PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8202866-B2 Ortho-aminoanilides for the treatment of cancer HOFFMANN-LA ROCHE INC. (US) 2012-06-19 US disclosed
US-20100069328-A1 NOVEL ORTHO-AMINOANILIDES FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE, INC. 2010-03-18 US 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-20100069328-A1 NOVEL ORTHO-AMINOANILIDES FOR THE TREATMENT OF CANCER IL4I1, MKI67, ABL1 TRPM8 4447/4885BCHE 1174/4885ACHE 1560/4885

“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.