SCHEMBL10242078

SCHEMBL10242078

O=C1NCC(c2ccc(C(F)(F)F)cc2)O1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.41
PARP1 P09874 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
WNT3A P56704 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
ESR1 P03372 1/20 0.35

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
SCHEMBL5021639 1.00 HTR2C (0.41) HTR2CPARP1PARP2WNT3ATNKS2
SCHEMBL532617 0.83 HTR1A (0.36)
SCHEMBL4439123 0.81 HTR1A (0.55) HTR2C
SCHEMBL2893585 0.81 MAOB (0.44)
SCHEMBL5021254 0.81 MAOB (0.44)
SCHEMBL13547538 0.79 DDB1 (0.39)
Flumetramide SCHEMBL258835 0.78 PRKAB2 (0.43) HTR2CPARP1PARP2
Flumetramide SCHEMBL9576017 0.78 PRKAB2 (0.43) HTR2CPARP1PARP2
SCHEMBL2901706 0.77 SLC6A3 (0.46)
SCHEMBL9109652 0.77 MAOB (0.44)

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
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-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-8735435-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2014-05-27 US disclosed
EP-1765793-B1 ANACETRAPIB AND OTHER CETP INHIBITPRS MERCK SHARP & DOHME (US) 2012-09-26 EP disclosed
EP-2415759-A1 CETP inhibitors Merck Sharp & Dohme Corporation (US) 2012-02-08 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 HTR2C 3807/4885PARP1 1364/4885PARP2 1703/4885
US-20100099716-A1 CETP INHIBITORS CETP, APOB, MTTP HTR2C 3807/4885PARP1 1364/4885PARP2 1703/4885
US-20160075724-A1 CETP Inhibitors CETP, APOB, MTTP HTR2C 3807/4885PARP1 1364/4885PARP2 1703/4885

“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.