SCHEMBL5049266

SCHEMBL5049266

O=Cc1cnc2ccccc2c1NC(C1CC1)C1CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.40
LRRK2 Q5S007 1/20 0.38
CACNA2D1 P54289 2/20 0.34
KDM4E B2RXH2 3/20 0.33
GPR3 P46089 1/20 0.33
EPHX1 P07099 1/20 0.32
KMT2A Q03164 3/20 0.31
EGFR P00533 1/20 0.31
ERBB2 P04626 1/20 0.31
KCNH2 Q12809 2/20 0.31
ATM Q13315 2/20 0.31
ATR Q13535 1/20 0.31
MEN1 O00255 2/20 0.31
MAPT P10636 1/20 0.31
NPC1 O15118 1/20 0.31
HSP90AA1 P07900 1/20 0.31
IDO1 P14902 1/20 0.31
RAB9A P51151 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL5049311 0.78 ADRA2A (0.43) LRRK2CACNA2D1KDM4EGPR3KMT2A
SCHEMBL5049298 0.72 MEN1 (0.62) KDM4EKMT2AMEN1MAPTNPSR1
SCHEMBL10441131 0.69 KMT2A (0.59) KDM4EKMT2AEGFRATMMEN1
SCHEMBL5043274 0.68 TACR1 (0.43)
SCHEMBL843955 0.67 ERN1 (0.50) ERN1KDM4EGPR3KMT2AMEN1
SCHEMBL22721434 0.67 ERN1 (0.50) ERN1KDM4EGPR3KMT2AMEN1
SCHEMBL29955644 0.67 ERN1 (0.59) ERN1KDM4EGPR3KMT2AMEN1
SCHEMBL22744411 0.67 ERN1 (0.50) ERN1KDM4EGPR3KMT2AMEN1
SCHEMBL5150835 0.67 ERN1 (0.50) ERN1KDM4EGPR3KMT2AKCNH2
SCHEMBL11504978 0.67 ERN1 (0.59) ERN1KDM4EGPR3KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9765030-B2 Benzylamine derivatives and their utility as cholesterol ester-transfer protein inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2017-09-19 US disclosed
EP-1981342-B1 SELECTIVE BENZYLAMINE DERIVATIVES AND THEIR UTILITY AS CHOLESTEROL ESTER-TRANSFER PROTEIN INHIBITORS REDDYS LAB LTD DR (IN) 2016-11-30 EP disclosed
US-20140134235-A1 NOVEL BENZYLAMINE DERIVATIVES AND THEIR UTILITY AS CHOLESTEROL ESTER-TRANSFER PROTEIN INHIBITORS DR. REDDY'S LABORATORIES LTD. (IN) 2014-05-15 US disclosed
US-8604055-B2 Substituted benzylamino quinolines as cholesterol ester-transfer protein inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2013-12-10 US disclosed
EP-1981342-A1 SELECTIVE BENZYLAMINE DERIVATIVES AND THEIR UTILITY AS CHOLESTEROL ESTER-TRANSFER PROTEIN INHIBITORS Reddy US Therapeutics, Inc. (US) 2008-10-22 EP disclosed
WO-2007075194-A1 SELECTIVE BENZYLAMINE DERIVATIVES AND THEIR UTILITY AS CHOLESTEROL ESTER-TRANSFER PROTEIN INHIBITORS REDDY US THERAPEUTICS, INC. (US) 2007-07-05 WO disclosed
US-20070015758-A1 Novel benzylamine derivatives and their utility as cholesterol ester-transfer protein inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2007-01-18 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 (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-20140134235-A1 NOVEL BENZYLAMINE DERIVATIVES AND THEIR UTILITY AS CHOLESTEROL ESTER-TRANSFER PROTEIN INHIBITORS CETP, NPC1, DBI ERN1 345/4885LRRK2 426/4885CACNA2D1 4631/4885
US-20070015758-A1 Novel benzylamine derivatives and their utility as cholesterol ester-transfer protein inhibitors CETP, NPC1, DBI ERN1 345/4885LRRK2 426/4885CACNA2D1 4631/4885

“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.