SCHEMBL5628296

SCHEMBL5628296

NC(=O)C1(C(=O)OCC2CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 6/20 0.37
SLC1A2 P43004 6/20 0.37
SLC1A1 P43005 6/20 0.37
PARP15 Q460N3 3/20 0.35
PARP10 Q53GL7 3/20 0.35
PARP2 Q9UGN5 2/20 0.35
SPHK1 Q9NYA1 6/20 0.35
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
ALOX5 P09917 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
SCHEMBL9065399 0.74 ALOX15 (0.46) LMNA
SCHEMBL669713 0.73 LMNA (0.49) SLC1A3SLC1A2SLC1A1PARP15PARP10
SCHEMBL30427433 0.72 PARP15 (0.42) SLC1A3SLC1A2SLC1A1PARP15PARP10
SCHEMBL111361 0.72
Hydrochloric Acid SCHEMBL28974199 0.70
SCHEMBL4167976 0.69 LMNA (0.49) SLC1A3SLC1A2SLC1A1PARP15PARP10
SCHEMBL24242073 0.67 CYP4F2 (0.33) SLC1A3SLC1A2SLC1A1LMNA
SCHEMBL4640203 0.67 ALOX15 (0.43) LMNA
SCHEMBL3518817 0.67 SLC1A3 (0.34) SLC1A3SLC1A2SLC1A1PARP15PARP10
SCHEMBL1444506 0.67 LMNA (0.43) SLC1A3SLC1A2SLC1A1PARP15PARP10

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 11 patents. 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
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-1848430-B1 NOVEL BENZYLAMINE DERIVATIVES AS CETP INHIBITORS Dr Reddys Laboratories Ltd (IN) 2017-08-02 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-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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 SLC1A3 1111/4885SLC1A2 1588/4885SLC1A1 1564/4885
US-20150216866-A1 SUBSTITUTED BENZYLAMINO QUINOLINES AS CHOLESTEROL ESTER-TRANSFER PROTEIN INHIBITORS CETP, NPC1, MTTP SLC1A3 502/4885SLC1A2 667/4885SLC1A1 514/4885
US-20070015758-A1 Novel benzylamine derivatives and their utility as cholesterol ester-transfer protein inhibitors CETP, NPC1, DBI SLC1A3 1111/4885SLC1A2 1588/4885SLC1A1 1564/4885
US-20060178514-A1 Novel benzylamine derivatives as CETP inhibitors CETP, NPC1, LIPC SLC1A3 3804/4885SLC1A2 3940/4885SLC1A1 4091/4885

“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.