SCHEMBL16634862

SCHEMBL16634862

O=C1Nc2ccccc2C1c1cccc(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.46
GALR3 O60755 1/20 0.44
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
HTR2C P28335 3/20 0.42
HTR7 P34969 1/20 0.41
IDO1 P14902 1/20 0.40
TP53 P04637 1/20 0.40
MDM2 Q00987 1/20 0.40
KDM1A O60341 1/20 0.40
RCOR1 Q9UKL0 1/20 0.40
BRD4 O60885 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2B P41595 1/20 0.40
GUSB P08236 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
SCHEMBL6930683 0.81 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DIDO1
SCHEMBL16641809 0.80 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DIDO1
SCHEMBL2828597 0.78 IDO1 (0.51) PDE4APDE4BPDE4CPDE4DIDO1
SCHEMBL31728057 0.78 IDO1 (0.51) PDE4APDE4BPDE4CPDE4DIDO1
SCHEMBL16634786 0.78 MAPT (0.49) PDE4APDE4BPDE4CPDE4DHTR7
SCHEMBL18025771 0.78 MAPT (0.49) PBRM1PDE4APDE4BPDE4CPDE4D
SCHEMBL18025751 0.74 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DHTR7
SCHEMBL18025750 0.74 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DHTR2C
SCHEMBL18025746 0.72 MAPT (0.49) PDE4APDE4BPDE4CPDE4DHTR7
SCHEMBL14940458 0.72 HTR2B (0.55) PBRM1HTR2CTP53HTR2AHTR2B

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-9688630-B2 3,3′-disubstituted indolines as inhibitors of cholesterol ester transfer protein MERCK SHARP & DOHME CORP. (US) 2017-06-27 US disclosed
US-9688630-B2 3,3′-disubstituted indolines as inhibitors of cholesterol ester transfer protein MERCK SHARP & DOHME CORP. (US) 2017-06-27 US disclosed
US-9688630-B2 3,3′-disubstituted indolines as inhibitors of cholesterol ester transfer protein MERCK SHARP & DOHME CORP. (US) 2017-06-27 US disclosed
US-20160355474-A1 3,3'-DISUBSTITUTED INDOLINES AS INHIBITORS OF CHOLESTEROL ESTER TRANSFER PROTEIN MERCK SHARP & DOHME CORP. (US) 2016-12-08 US disclosed
US-20160355474-A1 3,3'-DISUBSTITUTED INDOLINES AS INHIBITORS OF CHOLESTEROL ESTER TRANSFER PROTEIN MERCK SHARP & DOHME CORP. (US) 2016-12-08 US disclosed
US-20160355474-A1 3,3'-DISUBSTITUTED INDOLINES AS INHIBITORS OF CHOLESTEROL ESTER TRANSFER PROTEIN MERCK SHARP & DOHME CORP. (US) 2016-12-08 US disclosed
EP-3054945-A1 3,3'-DISUBSTITUTED INDOLINES AS INHIBITORS OF CHOLESTEROL ESTER TRANSFER PROTEIN Merck Sharp & Dohme Corp. (US) 2016-08-17 EP disclosed
WO-2015054088-A1 3,3'-DISUBSTITUTED INDOLINES AS INHIBITORS OF CHOLESTEROL ESTER TRANSFER PROTEIN MERCK SHARP & DOHME CORP. (US) 2015-04-16 WO disclosed
WO-2015054088-A1 3,3'-DISUBSTITUTED INDOLINES AS INHIBITORS OF CHOLESTEROL ESTER TRANSFER PROTEIN MERCK SHARP & DOHME CORP. (US) 2015-04-16 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 (1 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-20160355474-A1 3,3'-DISUBSTITUTED INDOLINES AS INHIBITORS OF CHOLESTEROL ESTER TRANSFER PROTEIN CETP, MTTP, HDLBP PBRM1 4118/4885GALR3 1160/4885PDE4A 1918/4885

“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.