SCHEMBL16634786

SCHEMBL16634786

O=C1Nc2ccccc2C1c1cccc(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
GAA P10253 1/20 0.49
SLC6A3 Q01959 5/20 0.47
PGR P06401 2/20 0.47
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
CACNB4 O00305 1/20 0.45
CACNA1A O00555 1/20 0.45
CACNA1G O43497 1/20 0.45
CACNG3 O60359 1/20 0.45
CACNA1F O60840 1/20 0.45
CACNA1H O95180 1/20 0.45
CACNB3 P54284 1/20 0.45
CACNA2D1 P54289 1/20 0.45
CACNG7 P62955 1/20 0.45
CACNA1B Q00975 1/20 0.45
CACNA1D Q01668 1/20 0.45
CACNB1 Q02641 1/20 0.45

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
SCHEMBL3967430 0.89 LMNA (0.45) MAPTGAASLC6A3PGRCACNB4
SCHEMBL31728057 0.81 IDO1 (0.51) MAPTPDE4APDE4BPDE4CPDE4D
SCHEMBL2828597 0.81 IDO1 (0.51) MAPTPDE4APDE4BPDE4CPDE4D
SCHEMBL18025771 0.81 MAPT (0.49) MAPTPDE4APDE4BPDE4CPDE4D
SCHEMBL6930683 0.81 PDE4A (0.46) MAPTPDE4APDE4BPDE4CPDE4D
SCHEMBL7463659 0.79 BRD4 (0.51) MAPTGAAPGRCACNB4CACNA1A
SCHEMBL18025751 0.78 PDE4A (0.55) MAPTGAAPDE4APDE4BPDE4C
SCHEMBL15619303 0.78 PDE4A (0.49) MAPTSLC6A3PDE4APDE4BPDE4C
SCHEMBL16634862 0.78 PBRM1 (0.46) PDE4APDE4BPDE4CPDE4DIDO1
SCHEMBL3969729 0.78 SLC6A2 (0.48) MAPTSLC6A3PGRPDE4APDE4B

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 MAPT 876/4885GAA 4101/4885SLC6A3 351/4885

“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.