SCHEMBL9885341

SCHEMBL9885341

COc1ccc(C(C)C)nc1C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC10A2 Q12908 1/20 0.35
NQO2 P16083 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
NQO1 P15559 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.30
ALDH1A1 P00352 2/20 0.30
POLB P06746 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TDO2 P48775 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL12761441 0.79 CETP (0.37) NPC1RAB9AALDH1A1TDO2MEN1
SCHEMBL21238615 0.75 SLC10A2 (0.37) SLC10A2NQO2CA1CA2CA7
SCHEMBL20780490 0.75 NQO2 (0.41) SLC10A2NQO2CA1CA2CA7
SCHEMBL172434 0.75 KDM4E (0.47) SLC10A2NQO2CA1CA2CA7
SCHEMBL9885340 0.75 MAPT (0.39) NQO2NPC1RAB9ANQO1ALDH1A1
SCHEMBL12761492 0.74 CNR1 (0.36) MEN1KMT2A
SCHEMBL26937900 0.74 SLC10A2 (0.38) SLC10A2NQO2CA1CA2CA7
SCHEMBL18611232 0.73 NQO2 (0.37) SLC10A2NQO2NPC1RAB9ANQO1
SCHEMBL20889926 0.73 HTR1B (0.33)
SCHEMBL25696339 0.73 MCHR1 (0.46) NQO2NPC1RAB9AALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160075724-A1 CETP Inhibitors MERCK SHARP & DOHME (US) 2016-03-17 US disclosed
US-20140221383-A1 CETP INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-08-07 US disclosed
US-8735435-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2014-05-27 US disclosed
US-8193365-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2012-06-05 US disclosed
US-8193365-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2012-06-05 US disclosed
US-20100249024-A1 CETP INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-09-30 US disclosed
US-20100249024-A1 CETP INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-09-30 US disclosed
US-7737295-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2010-06-15 US disclosed
US-20100099716-A1 CETP INHIBITORS MERCK SHARP & DOHME LLC 2010-04-22 US disclosed
US-20100099716-A1 CETP INHIBITORS MERCK SHARP & DOHME LLC 2010-04-22 US disclosed
US-7652049-B2 1-benzyl-4-[4'-fluoro-5'-isopropyl-2'-methoxy-4-(trifluoromethyl)biphenyl-2-yl]imidazolidin-2-one; cholesteryl ester transfer protein inhibitor; raising HDL-cholesterol, reducing LDL-cholesterol; atherosclerosis; antiinflammatory agent; synergistic mixture with other active ingredients MERCK & CO., INC. (US) 2010-01-26 US disclosed
US-20080119476-A1 Cetp Inhibitors ALI AMJAD 2008-05-22 US disclosed
US-20080119476-A1 Cetp Inhibitors ALI AMJAD 2008-05-22 US disclosed
US-20070225365-A1 Cetp Inhibitors MERCK & CO., INC. (US) 2007-09-27 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 (6 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-20140221383-A1 CETP INHIBITORS CETP, APOB, MTTP SLC10A2 562/4885NQO2 4271/4885CA1 4795/4885
US-20070225365-A1 Cetp Inhibitors CETP, APOB, NPC1 SLC10A2 547/4885NQO2 4191/4885CA1 4764/4885
US-20080119476-A1 Cetp Inhibitors CETP, APOB, MTTP SLC10A2 562/4885NQO2 4271/4885CA1 4795/4885
US-20100249024-A1 CETP INHIBITORS CETP, APOB, NPC1 SLC10A2 547/4885NQO2 4191/4885CA1 4764/4885
US-20100099716-A1 CETP INHIBITORS CETP, APOB, MTTP SLC10A2 562/4885NQO2 4271/4885CA1 4795/4885
US-20160075724-A1 CETP Inhibitors CETP, APOB, MTTP SLC10A2 562/4885NQO2 4271/4885CA1 4795/4885

“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.