SCHEMBL3244690

SCHEMBL3244690

CC(C)(C)c1ccc(CNCCc2ccc(C(F)(F)F)c(F)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
ESRRG P62508 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
DAO P14920 1/20 0.40
KIF11 P52732 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
PTPN7 P35236 1/20 0.40
DUSP3 P51452 1/20 0.40
EPHX2 P34913 1/20 0.39
NR1H4 Q96RI1 1/20 0.39

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
SCHEMBL3243287 0.89 PTPN7 (0.51) CA1CA2ESRRGL3MBTL1PTPN7
SCHEMBL4028051 0.86 CA1 (0.55) CA1CA2ESRRGL3MBTL1TRPV1
SCHEMBL3272738 0.83 CA1 (0.49) CA1CA2ESRRG
SCHEMBL3947879 0.82 CA1 (0.51) CA1CA2ESRRGL3MBTL1TRPV1
Hydrochloric Acid SCHEMBL3944196 0.81 CYP1A2 (0.51) CA1CA2ESRRGL3MBTL1
SCHEMBL5176818 0.81 CA1 (0.62) CA1CA2ESRRGL3MBTL1
SCHEMBL3235999 0.80 KDM4E (0.58) CA1CA2
SCHEMBL3276787 0.80 CA1 (0.51) CA1CA2ESRRGL3MBTL1
SCHEMBL20902780 0.79 CA1 (0.71) CA1CA2ESRRGL3MBTL1EPHX2
SCHEMBL5177574 0.79 CA1 (0.56) CA1CA2ESRRGL3MBTL1EPHX2

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 9 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
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-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 CA1 4376/4885CA2 2610/4885ESRRG 3392/4885
US-20070185058-A1 Heteroaryl and benzyl amide compounds CYP1B1, CYP4B1, ABCG2 CA1 4780/4885CA2 3882/4885ESRRG 2271/4885

“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.