SCHEMBL16743073

SCHEMBL16743073

CCN(CC1CCCC1)c1nc2ccc(C)cc2cc1CN(Cc1cc(C)cc(C(F)(F)F)c1)C(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CETP P11597 18/20 0.47
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TBXA2R P21731 1/20 0.34
PTGDR Q13258 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34

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
SCHEMBL5627054 0.97 CETP (0.50) CETPMEN1KMT2A
SCHEMBL16743065 0.92 CETP (0.43) CETPTBXA2RPTGDRPTGDR2
SCHEMBL16743071 0.91 CETP (0.43) CETPTBXA2RPTGDRPTGDR2
SCHEMBL16743069 0.89 CETP (0.44) CETPTBXA2RPTGDRPTGDR2
SCHEMBL5624969 0.88 CETP (0.47) CETPTBXA2RPTGDRPTGDR2
SCHEMBL15981334 0.87 CETP (0.55) CETPTBXA2RPTGDRPTGDR2
SCHEMBL5623604 0.86 CETP (0.47) CETPTBXA2RPTGDRPTGDR2
SCHEMBL16743066 0.86 CETP (0.38) CETP
SCHEMBL19188544 0.85 CETP (0.48) CETP
SCHEMBL19440358 0.85 CETP (0.38) CETPTBXA2RPTGDRPTGDR2

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 5 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-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
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

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

For each of this compound's patents that has machine-readable text (3 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-20150216866-A1 SUBSTITUTED BENZYLAMINO QUINOLINES AS CHOLESTEROL ESTER-TRANSFER PROTEIN INHIBITORS CETP, NPC1, MTTP CETP 1/4885MEN1 2695/4885KMT2A 1650/4885
US-20160000799-A1 PHARMACEUTICAL COMPOSITIONS OF CETP INHIBITORS CETP, LCAT, MTTP CETP 1/4885MEN1 4453/4885KMT2A 4197/4885
US-20170071930-A1 PHARMACEUTICAL COMPOSITIONS OF CETP INHIBITORS CETP, NPC1, CES1 CETP 1/4885MEN1 4672/4885KMT2A 3427/4885

“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.