SCHEMBL14698243

SCHEMBL14698243

CC1CCc2cc(CN(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ncc(N4CCOCC4)cn3)c(N(CC3CC3)CC3CC3)nc21

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CETP P11597 17/20 0.43
NAPEPLD Q6IQ20 1/20 0.31
RAF1 P04049 1/20 0.30
BRAF P15056 1/20 0.30
HDAC1 Q13547 1/20 0.30

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
SCHEMBL17414317 0.96 CETP (0.40) CETPRAF1BRAF
SCHEMBL14707204 0.95 CETP (0.42) CETPNAPEPLDHDAC1
SCHEMBL17414314 0.91 CETP (0.39) CETPNAPEPLDRAF1BRAF
SCHEMBL14699534 0.86 CETP (0.46) CETP
SCHEMBL17414307 0.82 CETP (0.43) CETP
SCHEMBL18636589 0.82 CETP (0.44) CETP
SCHEMBL14602963 0.82 CETP (0.43) CETP
SCHEMBL14602961 0.82 CETP (0.42) CETPNAPEPLDHDAC1
SCHEMBL14833711 0.81 CETP (0.40) CETPRAF1BRAFHDAC1
SCHEMBL14833492 0.80 CETP (0.39) CETPRAF1BRAFHDAC1

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 14 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-9199967-B2 Substituted heterocyclic amine compounds as cholestryl ester-transfer protein (CETP) inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2015-12-01 US claimed
US-20140256724-A1 SUBSTITUTED HETEROCYCLIC AMINE COMPOUNDS AS CHOLESTRYL ESTER-TRANSFER PROTEIN (CETP) INHIBITORS DR. REDDY'S LABORATORIES LTD. (IN) 2014-09-11 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-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-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 1/4885NAPEPLD 108/4885RAF1 4363/4885
US-20160045488-A1 SUBSTITUTED HETEROCYCLIC AMINE COMPOUNDS AS CHOLESTERYL ESTER-TRANSFER PROTEIN (CETP) INHIBITORS CETP, MTTP, PCTP CETP 1/4885NAPEPLD 137/4885RAF1 4102/4885
US-20170071930-A1 PHARMACEUTICAL COMPOSITIONS OF CETP INHIBITORS CETP, NPC1, CES1 CETP 1/4885NAPEPLD 31/4885RAF1 4001/4885
US-20140256724-A1 SUBSTITUTED HETEROCYCLIC AMINE COMPOUNDS AS CHOLESTRYL ESTER-TRANSFER PROTEIN (CETP) INHIBITORS CETP, MTTP, PCTP CETP 1/4885NAPEPLD 130/4885RAF1 4053/4885

“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.