SCHEMBL3235993

SCHEMBL3235993

CC(C)(C)c1ccc(CC(C(N)=O)c2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 14/20 0.48
ACP3 P15309 2/20 0.46
PNMT P11086 1/20 0.45
TRPM8 Q7Z2W7 1/20 0.43
GRIN2B Q13224 1/20 0.43

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
SCHEMBL5633978 0.89 EPHX1 (0.46) EPHX1ACP3PNMTTRPM8
SCHEMBL5635064 0.88 EPHX1 (0.44) EPHX1ACP3PNMTTRPM8
SCHEMBL3571477 0.88 EPHX1 (0.48) EPHX1ACP3PNMTTRPM8
SCHEMBL3581412 0.88 EPHX1 (0.48) EPHX1ACP3PNMTTRPM8
SCHEMBL3581361 0.88 EPHX1 (0.49) EPHX1ACP3PNMTTRPM8
SCHEMBL5633998 0.87 EPHX1 (0.47) EPHX1ACP3PNMTTRPM8
SCHEMBL28107956 0.87 EPHX1 (0.65) EPHX1ACP3PNMTTRPM8
SCHEMBL5178070 0.86 EPHX1 (0.49) EPHX1GRIN2B
SCHEMBL3578665 0.86 EPHX1 (0.44) EPHX1ACP3PNMTTRPM8
SCHEMBL5176814 0.85 EPHX1 (0.50) EPHX1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1984322-B1 BENZAMIDE AND HETEROARENE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-09-26 EP claimed
US-7691876-B2 Heterobicyclic amide compounds HOFFMANN-LA ROCHE INC. (US) 2010-04-06 US claimed
US-7678818-B2 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US claimed
EP-1984364-A1 HETEROBICYCLIC AMIDE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-10-29 EP claimed
US-7259183-B2 Indole, indazole and indoline derivatives as CETP inhibitors HOFFMANN-LA ROCHE INC. (US) 2007-08-21 US claimed
WO-2007090751-A1 HETEROBICYCLIC AMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-08-16 WO claimed
EP-1776338-A1 INDOLE, INDAZOLE OR INDOLINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-04-25 EP claimed
US-20060030613-A1 Indole, indazole and indoline derivatives as CETP inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2006-02-09 US claimed
WO-2006013048-A1 INDOLE, INDAZOLE OR INDOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2006-02-09 WO claimed
EP-1984322-B1 BENZAMIDE AND HETEROARENE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-09-26 EP disclosed
EP-1984340-B1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-06-27 EP disclosed
US-7745477-B2 Heteroaryl and benzyl amide compounds HOFFMAN-LA ROCHE INC. (US) 2010-06-29 US disclosed
US-7691876-B2 Heterobicyclic amide compounds HOFFMANN-LA ROCHE INC. (US) 2010-04-06 US disclosed
US-7678818-B2 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US disclosed
US-7259183-B2 Indole, indazole and indoline derivatives as CETP inhibitors HOFFMANN-LA ROCHE INC. (US) 2007-08-21 US disclosed
WO-2007090751-A1 HETEROBICYCLIC AMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-08-16 WO disclosed
US-20070185058-A1 Heteroaryl and benzyl amide compounds HOFFMANN-LA ROCHE INC. 2007-08-09 US disclosed
EP-1776338-A1 INDOLE, INDAZOLE OR INDOLINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-04-25 EP disclosed
US-20060030613-A1 Indole, indazole and indoline derivatives as CETP inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2006-02-09 US disclosed
WO-2006013048-A1 INDOLE, INDAZOLE OR INDOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2006-02-09 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 (2 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-20060030613-A1 Indole, indazole and indoline derivatives as CETP inhibitors CETP, NAT1, MTTP EPHX1 2381/4885ACP3 1447/4885PNMT 1452/4885
US-20070185058-A1 Heteroaryl and benzyl amide compounds CYP1B1, CYP4B1, ABCG2 EPHX1 2769/4885ACP3 3482/4885PNMT 3464/4885

“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.