SCHEMBL2835624

SCHEMBL2835624

NCC1(c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)CCCCC1

nearest known ligand 0.90

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 15/20 0.90
SLC6A4 P31645 14/20 0.66
SLC6A2 P23975 5/20 0.66
DPP4 P27487 1/20 0.51

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
SCHEMBL31441152 0.95 SLC6A3 (1.00) SLC6A3SLC6A4SLC6A2DPP4
SCHEMBL3517106 0.95 SLC6A3 (1.00) SLC6A3SLC6A4SLC6A2DPP4
SCHEMBL7899629 0.93 SLC6A3 (0.96) SLC6A3SLC6A4SLC6A2DPP4
SCHEMBL6494941 0.81 SLC6A3 (0.60) SLC6A3SLC6A4SLC6A2
SCHEMBL3516310 0.80 SLC6A3 (1.00) SLC6A3SLC6A4SLC6A2DPP4
SCHEMBL6500186 0.79 SLC6A3 (0.57) SLC6A3SLC6A4SLC6A2
SCHEMBL7896269 0.79 SLC6A3 (0.71) SLC6A3SLC6A4SLC6A2DPP4
SCHEMBL12585893 0.79 SLC6A3 (0.71) SLC6A3SLC6A4SLC6A2
SCHEMBL10453441 0.78 SLC6A3 (0.59) SLC6A3SLC6A4SLC6A2
SCHEMBL6494934 0.78 SLC6A4 (0.63) SLC6A3SLC6A4SLC6A2

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
EP-2170059-B1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES MERCK SHARP & DOHME (US) 2014-11-19 EP disclosed
EP-2170059-B1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES MERCK SHARP & DOHME (US) 2014-11-19 EP disclosed
US-8436028-B2 CETP inhibitors derived from benzoxazole arylamides MERCK SHARP & DOHME CORP (US) 2013-05-07 US disclosed
US-8436028-B2 CETP inhibitors derived from benzoxazole arylamides MERCK SHARP & DOHME CORP (US) 2013-05-07 US disclosed
US-8436028-B2 CETP inhibitors derived from benzoxazole arylamides MERCK SHARP & DOHME CORP (US) 2013-05-07 US disclosed
US-20100197630-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES MERCK & CO., INC 2010-08-05 US disclosed
US-20100197630-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES MERCK & CO., INC 2010-08-05 US disclosed
US-20100197630-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES MERCK & CO., INC 2010-08-05 US disclosed
EP-2170059-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES Merck Sharp & Dohme Corp. (US) 2010-04-07 EP disclosed
WO-2008156717-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES MERCK & CO., INC. (US) 2008-12-24 WO disclosed
WO-2008156717-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES MERCK & CO., INC. (US) 2008-12-24 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 (1 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-20100197630-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES CETP, APOB, MTTP SLC6A3 4644/4885SLC6A4 3857/4885SLC6A2 3566/4885

“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.