SCHEMBL5049272

SCHEMBL5049272

O=Cc1cnc2ccccc2c1N(CC1CC1)CC1CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.39
GRM5 P41594 4/20 0.38
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
P2RX7 Q99572 1/20 0.34
CRHR1 P34998 2/20 0.33
KIT P10721 1/20 0.33
PDGFRA P16234 1/20 0.33
FLT3 P36888 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GPR3 P46089 1/20 0.33
MELK Q14680 2/20 0.32
IDO1 P14902 1/20 0.32
ADRA2A P08913 1/20 0.32
NPY5R Q15761 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRA2 P47869 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL5043555 0.83 IRAK4 (0.40) GRM5CRHR1KDM4EMELKSMN1; SMN2
SCHEMBL5049314 0.78 ADRA2A (0.37) ERN1GRM5S1PR1S1PR3CRHR1
SCHEMBL14472680 0.70 TACR1 (0.43)
SCHEMBL22721434 0.70 ERN1 (0.50) ERN1KDM4EGPR3IDO1LMNA
SCHEMBL5150835 0.66 ERN1 (0.50) ERN1KDM4EGPR3IDO1ADRA2A
SCHEMBL22744411 0.66 ERN1 (0.50) ERN1KDM4EGPR3IDO1LMNA
SCHEMBL843955 0.66 ERN1 (0.50) ERN1KDM4EGPR3IDO1GABRA1
SCHEMBL29955644 0.66 ERN1 (0.59) ERN1KDM4EGPR3IDO1LMNA
SCHEMBL11504978 0.66 ERN1 (0.59) ERN1KDM4EGPR3IDO1LMNA
SCHEMBL5049266 0.66 ERN1 (0.40) ERN1KDM4EGPR3IDO1

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 15 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
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
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
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-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-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
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
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
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 345/4885GRM5 4242/4885S1PR1 1776/4885
US-20070015758-A1 Novel benzylamine derivatives and their utility as cholesterol ester-transfer protein inhibitors CETP, NPC1, DBI ERN1 345/4885GRM5 4242/4885S1PR1 1776/4885

“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.