SCHEMBL14698016

SCHEMBL14698016

CC(=O)c1cnc(N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)Cc2cc3c(nc2N(CC2CC2)CC2CC2)C(C)(C)CC3)nc1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CETP P11597 12/20 0.34
RXRA P19793 2/20 0.32
RXRB P28702 2/20 0.32
RXRG P48443 2/20 0.32
LTC4S Q16873 2/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA1A P35348 1/20 0.32
HTR2B P41595 1/20 0.32
MCHR1 Q99705 1/20 0.32
GPBAR1 Q8TDU6 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
SCHEMBL17414309 0.96 CETP (0.32) CETPRXRARXRBRXRGLTC4S
SCHEMBL14698063 0.93 CETP (0.34) CETPRXRARXRBRXRGLTC4S
SCHEMBL14699576 0.90 ALDH1A1 (0.33) CETPRXRARXRBRXRGLTC4S
SCHEMBL14698379 0.90 ALDH1A1 (0.33) CETPRXRARXRBRXRGLTC4S
SCHEMBL17414313 0.89 CETP (0.32) CETPRXRARXRBRXRGLTC4S
SCHEMBL14698042 0.89 CETP (0.34) CETP
SCHEMBL14698017 0.88 CETP (0.33) CETP
SCHEMBL14698380 0.88 CETP (0.34) CETP
SCHEMBL14698324 0.87 CETP (0.33) CETP
SCHEMBL14697716 0.86 CETP (0.32) CETP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9351969-B2 Substituted heterocyclic amine compounds as cholesteryl ester-transfer protein (CETP) inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2016-05-31 US claimed
US-20160045488-A1 SUBSTITUTED HETEROCYCLIC AMINE COMPOUNDS AS CHOLESTERYL ESTER-TRANSFER PROTEIN (CETP) INHIBITORS DR. REDDY'S LABORATORIES LTD. (IN) 2016-02-18 US claimed
US-20170071930-A1 PHARMACEUTICAL COMPOSITIONS OF CETP INHIBITORS DR. REDDY'S LABORATORIES, LTD. (IN) 2017-03-16 US disclosed
US-9351969-B2 Substituted heterocyclic amine compounds as cholesteryl ester-transfer protein (CETP) inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2016-05-31 US disclosed
US-9351969-B2 Substituted heterocyclic amine compounds as cholesteryl ester-transfer protein (CETP) inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2016-05-31 US disclosed
US-9351969-B2 Substituted heterocyclic amine compounds as cholesteryl ester-transfer protein (CETP) inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2016-05-31 US disclosed
US-20160045488-A1 SUBSTITUTED HETEROCYCLIC AMINE COMPOUNDS AS CHOLESTERYL ESTER-TRANSFER PROTEIN (CETP) INHIBITORS DR. REDDY'S LABORATORIES LTD. (IN) 2016-02-18 US disclosed
US-20160045488-A1 SUBSTITUTED HETEROCYCLIC AMINE COMPOUNDS AS CHOLESTERYL ESTER-TRANSFER PROTEIN (CETP) INHIBITORS DR. REDDY'S LABORATORIES LTD. (IN) 2016-02-18 US disclosed
US-20160045488-A1 SUBSTITUTED HETEROCYCLIC AMINE COMPOUNDS AS CHOLESTERYL ESTER-TRANSFER PROTEIN (CETP) INHIBITORS DR. REDDY'S LABORATORIES LTD. (IN) 2016-02-18 US disclosed
US-20160000799-A1 PHARMACEUTICAL COMPOSITIONS OF CETP INHIBITORS DR. REDDY'S LABORATORIES, LTD. (IN) 2016-01-07 US disclosed
US-9199967-B2 Substituted heterocyclic amine compounds as cholestryl ester-transfer protein (CETP) inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2015-12-01 US disclosed
US-9199967-B2 Substituted heterocyclic amine compounds as cholestryl ester-transfer protein (CETP) inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2015-12-01 US disclosed
US-9199967-B2 Substituted heterocyclic amine compounds as cholestryl ester-transfer protein (CETP) inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2015-12-01 US disclosed
US-20140256724-A1 SUBSTITUTED HETEROCYCLIC AMINE COMPOUNDS AS CHOLESTRYL ESTER-TRANSFER PROTEIN (CETP) INHIBITORS DR. REDDY'S LABORATORIES LTD. (IN) 2014-09-11 US disclosed
US-20140256724-A1 SUBSTITUTED HETEROCYCLIC AMINE COMPOUNDS AS CHOLESTRYL ESTER-TRANSFER PROTEIN (CETP) INHIBITORS DR. REDDY'S LABORATORIES LTD. (IN) 2014-09-11 US disclosed
US-20140256724-A1 SUBSTITUTED HETEROCYCLIC AMINE COMPOUNDS AS CHOLESTRYL ESTER-TRANSFER PROTEIN (CETP) INHIBITORS DR. REDDY'S LABORATORIES LTD. (IN) 2014-09-11 US disclosed
WO-2014128564-A2 PHARMACEUTICAL COMPOSITIONS OF CETP INHIBITORS DR. REDDY'S LABORATORIES LTD. (IN) 2014-08-28 WO disclosed
EP-2744803-A2 SUBSTITUTED HETEROCYCLIC AMINE COMPOUNDS AS CHOLESTRYL ESTER-TRANSFER PROTEIN (CETP) INHIBITORS Dr. Reddy's Laboratories Ltd. (IN) 2014-06-25 EP disclosed
WO-2014076568-A2 PHARMACEUTICAL COMPOSITIONS OF CETP INHIBITORS DR. REDDY'S LABORATORIES LTD. (IN) 2014-05-22 WO disclosed
WO-2013024358-A2 SUBSTITUTED HETEROCYCLIC AMINE COMPOUNDS AS CHOLESTRYL ESTER-TRANSFER PROTEIN (CETP) INHIBITORS DR. REDDY'S LABORATORIES LTD. (IN) 2013-02-21 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-20160000799-A1 PHARMACEUTICAL COMPOSITIONS OF CETP INHIBITORS CETP, LCAT, MTTP CETP 1/4885RXRA 3025/4885RXRB 2344/4885
US-20160045488-A1 SUBSTITUTED HETEROCYCLIC AMINE COMPOUNDS AS CHOLESTERYL ESTER-TRANSFER PROTEIN (CETP) INHIBITORS CETP, MTTP, PCTP CETP 1/4885RXRA 4644/4885RXRB 4224/4885
US-20170071930-A1 PHARMACEUTICAL COMPOSITIONS OF CETP INHIBITORS CETP, NPC1, CES1 CETP 1/4885RXRA 3013/4885RXRB 2859/4885
US-20140256724-A1 SUBSTITUTED HETEROCYCLIC AMINE COMPOUNDS AS CHOLESTRYL ESTER-TRANSFER PROTEIN (CETP) INHIBITORS CETP, MTTP, PCTP CETP 1/4885RXRA 4630/4885RXRB 4208/4885

“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.