SCHEMBL4152967

SCHEMBL4152967

COc1ccc(CCNCc2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.64
KMT2A Q03164 5/20 0.61
MEN1 O00255 4/20 0.61
ATM Q13315 1/20 0.61
CA1 P00915 2/20 0.59
CA2 P00918 2/20 0.59
BCHE P06276 2/20 0.59
CA12 O43570 1/20 0.59
CA4 P22748 1/20 0.59
CA9 Q16790 1/20 0.59
NPC1 O15118 1/20 0.57
EPHX2 P34913 1/20 0.57
RAB9A P51151 1/20 0.57
NR1H4 Q96RI1 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
ALDH1A1 P00352 3/20 0.57
CHRM2 P08172 1/20 0.57
KDM4E B2RXH2 1/20 0.52
HTR2A P28223 1/20 0.50
CCR3 P51677 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
SCHEMBL20902780 0.88 CA1 (0.71) GAAKMT2ACA1CA2CA12
SCHEMBL4034060 0.88 CA1 (0.53) GAAKMT2AMEN1ATMCA1
SCHEMBL5177357 0.84 BCHE (0.65) GAAKMT2AMEN1ATMCA1
SCHEMBL4155046 0.84 CA1 (0.56) GAAKMT2AMEN1ATMCA1
SCHEMBL5175418 0.82 CA1 (0.54) GAAKMT2AMEN1ATMCA1
SCHEMBL3240039 0.82 GAA (0.67) GAAKMT2AMEN1ATMCA1
SCHEMBL10032816 0.82 MEN1 (0.85) GAAKMT2AMEN1ATMCA1
SCHEMBL3244363 0.82 CA1 (0.64) GAAKMT2AMEN1CA1CA2
SCHEMBL12131075 0.82 MEN1 (0.85) GAAKMT2AMEN1ATMCA1
SCHEMBL3244925 0.81 CA1 (0.62) GAAKMT2AMEN1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090171091-A1 COMPOUNDS SUITABLE AS MODULATORS OF HDL CADILA HEALTHCARE LIMITED (IN) 2009-07-02 US claimed
US-20090171091-A1 COMPOUNDS SUITABLE AS MODULATORS OF HDL CADILA HEALTHCARE LIMITED (IN) 2009-07-02 US disclosed
US-7259183-B2 Indole, indazole and indoline derivatives as CETP inhibitors HOFFMANN-LA ROCHE INC. (US) 2007-08-21 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 GAA 1577/4885KMT2A 3176/4885MEN1 2604/4885
US-20090171091-A1 COMPOUNDS SUITABLE AS MODULATORS OF HDL CETP, APOB, HDLBP GAA 389/4885KMT2A 4396/4885MEN1 1778/4885

“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.