SCHEMBL3244685

SCHEMBL3244685

CC(C)(C)c1ccc(CNC(=O)Cc2ccc(C(F)(F)F)c(F)c2)cc1

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.56
EPHX2 P34913 1/20 0.50
NR1H4 Q96RI1 1/20 0.50

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
SCHEMBL3276464 0.90 PTPN7 (0.57) P2RX7
SCHEMBL4028044 0.87 EPHX2 (0.54) EPHX2NR1H4
SCHEMBL3272732 0.84 P2RX7 (0.57) P2RX7
SCHEMBL3947875 0.84 MEN1 (0.51) EPHX2NR1H4
SCHEMBL5176812 0.83 P2RX7 (0.57) P2RX7EPHX2NR1H4
Hydrochloric Acid SCHEMBL3944192 0.82 MEN1 (0.50) EPHX2NR1H4
SCHEMBL3276784 0.81 MEN1 (0.54) NR1H4
SCHEMBL3235987 0.81 BACE1 (0.60)
SCHEMBL5175983 0.81
SCHEMBL5177567 0.80 LMNA (0.55)

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 8 patents. 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
EP-1984322-B1 BENZAMIDE AND HETEROARENE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-09-26 EP disclosed
US-7745477-B2 Heteroaryl and benzyl amide compounds HOFFMAN-LA ROCHE INC. (US) 2010-06-29 US disclosed
US-7259183-B2 Indole, indazole and indoline derivatives as CETP inhibitors HOFFMANN-LA ROCHE INC. (US) 2007-08-21 US 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 P2RX7 2099/4885EPHX2 3692/4885NR1H4 335/4885
US-20070185058-A1 Heteroaryl and benzyl amide compounds CYP1B1, CYP4B1, ABCG2 P2RX7 978/4885EPHX2 2258/4885NR1H4 549/4885

“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.