SCHEMBL3422889

SCHEMBL3422889

[c]1ncccc1N1CCCc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.43
JAK2 O60674 1/20 0.42
JAK3 P52333 1/20 0.42
PTK2 Q05397 1/20 0.42
NUDT1 P36639 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KMT2A Q03164 3/20 0.39
STAT3 P40763 1/20 0.39
NOTUM Q6P988 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MGLL Q99685 1/20 0.38
SRD5A1 P18405 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 1/20 0.37

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
SCHEMBL3145069 0.76 ROCK1 (0.46) ROCK1L3MBTL1JAK2JAK3PTK2
SCHEMBL15414802 0.76 ALDH1A1 (0.39) L3MBTL1HSD17B10KMT2AALDH1A1MEN1
SCHEMBL8039359 0.75 ROCK1 (0.45) ROCK1L3MBTL1JAK2JAK3PTK2
SCHEMBL5245431 0.72 ROCK1 (0.63) ROCK1L3MBTL1JAK2JAK3PTK2
SCHEMBL15539900 0.72 PIM1 (0.37) L3MBTL1HSD17B10ALDH1A1MAPT
SCHEMBL3765155 0.72 NUDT1 (0.46) PTK2NUDT1SMN1; SMN2POLBKMT2A
SCHEMBL28506498 0.71 ROCK1 (0.54) ROCK1L3MBTL1JAK2JAK3PTK2
SCHEMBL11199183 0.71 ROCK1 (0.43) ROCK1L3MBTL1JAK2JAK3PTK2
SCHEMBL18012073 0.70 ROCK1 (0.64) ROCK1L3MBTL1JAK2JAK3PTK2
SCHEMBL21788620 0.70 ROCK1 (0.56) ROCK1L3MBTL1JAK2JAK3PTK2

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9782407-B2 Substituted benzylamino quinolines as cholesterol ester-transfer protein inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2017-10-10 US disclosed
EP-1848430-B1 NOVEL BENZYLAMINE DERIVATIVES AS CETP INHIBITORS Dr Reddys Laboratories Ltd (IN) 2017-08-02 EP disclosed
US-20170071930-A1 PHARMACEUTICAL COMPOSITIONS OF CETP INHIBITORS DR. REDDY'S LABORATORIES, LTD. (IN) 2017-03-16 US disclosed
US-20160000799-A1 PHARMACEUTICAL COMPOSITIONS OF CETP INHIBITORS DR. REDDY'S LABORATORIES, LTD. (IN) 2016-01-07 US disclosed
CN-103102303-B As the benzyl amine derivative of CETP inhibitor DR. REDDY'S LABORATORIES LTD. (IN) 2015-10-28 CN disclosed
EP-2919765-A2 PHARMACEUTICAL COMPOSITIONS OF CETP INHIBITORS Dr. Reddy's Laboratories Ltd. (IN) 2015-09-23 EP disclosed
US-20150216866-A1 SUBSTITUTED BENZYLAMINO QUINOLINES AS CHOLESTEROL ESTER-TRANSFER PROTEIN INHIBITORS DR. REDDY'S LABORATORIES LTD. (IN) 2015-08-06 US disclosed
US-9040558-B2 Substituted benzylamino quinolines as cholesterol ester-transfer protein inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2015-05-26 US disclosed
US-20140243282-A1 METHODS AND COMPOSITIONS FOR DESIGNING NOVEL CONJUGATE THERAPEUTICS KALLAM SATISH REDDY (US) 2014-08-28 US disclosed
WO-2014128564-A2 PHARMACEUTICAL COMPOSITIONS OF CETP INHIBITORS DR. REDDY'S LABORATORIES LTD. (IN) 2014-08-28 WO 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
WO-2012090104-A1 METHODS AND COMPOSITIONS FOR DESIGNING NOVEL CONJUGATE THERAPEUTICS KAREUS THERAPEUTICS, SA (CH) 2012-07-05 WO disclosed
US-7700774-B2 Heterocyclic compounds and their pharmaceutical compositions DR. REDDY'S LABORATORIES LTD. (IN) 2010-04-20 US disclosed
EP-1848430-A2 NOVEL BENZYLAMINE DERIVATIVES AS CETP INHIBITORS Reddy US Therapeutics, Inc. (US) 2007-10-31 EP 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-20060178514-A1 Novel benzylamine derivatives as CETP inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2006-08-10 US disclosed
WO-2006073973-A2 NOVEL BENZYLAMINE DERIVATIVES AS CETP INHIBITORS REDDY US THERAPEUTICS, INC. (US) 2006-07-13 WO disclosed
WO-2006069162-A1 NOVEL HETEROCYCLIC COMPOUNDS AND THEIR PHARMACEUTICAL COMPOSITIONS REDDY US THERAPEUTICS, INC. (US) 2006-06-29 WO disclosed
US-20060135551-A1 Novel heterocyclic compounds and their pharmaceutical compositions DR. REDDY'S LABORATORIES LTD. (IN) 2006-06-22 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 (8 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 ROCK1 2580/4885L3MBTL1 363/4885JAK2 4645/4885
US-20150216866-A1 SUBSTITUTED BENZYLAMINO QUINOLINES AS CHOLESTEROL ESTER-TRANSFER PROTEIN INHIBITORS CETP, NPC1, MTTP ROCK1 3353/4885L3MBTL1 394/4885JAK2 4831/4885
US-20160000799-A1 PHARMACEUTICAL COMPOSITIONS OF CETP INHIBITORS CETP, LCAT, MTTP ROCK1 4092/4885L3MBTL1 3939/4885JAK2 4884/4885
US-20070015758-A1 Novel benzylamine derivatives and their utility as cholesterol ester-transfer protein inhibitors CETP, NPC1, DBI ROCK1 2580/4885L3MBTL1 363/4885JAK2 4645/4885
US-20170071930-A1 PHARMACEUTICAL COMPOSITIONS OF CETP INHIBITORS CETP, NPC1, CES1 ROCK1 2359/4885L3MBTL1 4769/4885JAK2 4880/4885
US-20060178514-A1 Novel benzylamine derivatives as CETP inhibitors CETP, NPC1, LIPC ROCK1 3476/4885L3MBTL1 659/4885JAK2 4529/4885
US-20060135551-A1 Novel heterocyclic compounds and their pharmaceutical compositions LIPC, PCSK9, PC ROCK1 3812/4885L3MBTL1 4488/4885JAK2 2589/4885
US-20140243282-A1 METHODS AND COMPOSITIONS FOR DESIGNING NOVEL CONJUGATE THERAPEUTICS EPHA2, C3AR1, FCGRT ROCK1 716/4885L3MBTL1 2896/4885JAK2 1741/4885

“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.