SCHEMBL14698256

SCHEMBL14698256

CC1(C)CCc2cc(C=O)c(N(CC3CC3)CC3CC3)nc21

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
CRHR1 P34998 1/20 0.32
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 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
SCHEMBL5623905 0.72 CRHR1 (0.36) CRHR1
SCHEMBL14698378 0.71 OPRM1 (0.36) RXRARXRBRXRGCRHR1OPRM1
SCHEMBL14698041 0.71 TACR1 (0.34)
SCHEMBL5133331 0.68 CRHR1 (0.35) CRHR1
SCHEMBL14698017 0.68 CETP (0.33)
SCHEMBL14698162 0.67 AR (0.30)
SCHEMBL5042709 0.67 PARP14 (0.38) CRHR1
SCHEMBL14707172 0.66 TACR1 (0.33)
SCHEMBL5049417 0.66 CRHR1 (0.36) CRHR1
SCHEMBL5132600 0.65 CRHR1 (0.32) CRHR1

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-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-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
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-2013024358-A2 SUBSTITUTED HETEROCYCLIC AMINE COMPOUNDS AS CHOLESTRYL ESTER-TRANSFER PROTEIN (CETP) INHIBITORS DR. REDDY'S LABORATORIES LTD. (IN) 2013-02-21 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 (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-20160045488-A1 SUBSTITUTED HETEROCYCLIC AMINE COMPOUNDS AS CHOLESTERYL ESTER-TRANSFER PROTEIN (CETP) INHIBITORS CETP, MTTP, PCTP RXRA 4644/4885RXRB 4224/4885RXRG 4300/4885
US-20140256724-A1 SUBSTITUTED HETEROCYCLIC AMINE COMPOUNDS AS CHOLESTRYL ESTER-TRANSFER PROTEIN (CETP) INHIBITORS CETP, MTTP, PCTP RXRA 4630/4885RXRB 4208/4885RXRG 4299/4885

“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.