SCHEMBL5779119

SCHEMBL5779119

COC(=O)[CH]c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.44
NOTUM Q6P988 1/20 0.44
MAPT P10636 2/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
GPR35 Q9HC97 2/20 0.41
RPS6KA3 P51812 1/20 0.41
JAK3 P52333 1/20 0.41
CFTR P13569 1/20 0.39
P2RX1 P51575 2/20 0.38
NR1H4 Q96RI1 1/20 0.38
TMPRSS4 Q9NRS4 1/20 0.38
MAOB P27338 1/20 0.38

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
SCHEMBL3592842 0.82 NR1H4 (0.52) MAPTLMNAALDH1A1GAANR1H4
SCHEMBL6030025 0.82 NR1H4 (0.52) MAPTLMNAALDH1A1GAANR1H4
SCHEMBL7786814 0.82 NR1H4 (0.52) MAPTLMNAALDH1A1GAANR1H4
SCHEMBL6553826 0.74 CES2 (0.48) CES2NOTUMMAPTLMNAALDH1A1
SCHEMBL6553829 0.74 CES2 (0.48) CES2NOTUMMAPTLMNAALDH1A1
SCHEMBL6821846 0.74 NR1H4 (0.46) MAPTLMNAALDH1A1GAANR1H4
SCHEMBL6821849 0.74 NR1H4 (0.46) MAPTLMNAALDH1A1GAANR1H4
SCHEMBL1999038 0.71 NOTUM (0.77) CES2NOTUMMAPTLMNAALDH1A1
SCHEMBL2215835 0.70 NOTUM (0.38) CES2NOTUMMAPTGAAGPR35
SCHEMBL2215838 0.70 NOTUM (0.38) CES2NOTUMMAPTGAAGPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2006521344-A 2006-09-21 JP claimed
CN-1795177-A 1, 2, 4-substituted 1, 2, 3, 4-tetrahydro-and 1, 2 dihydro-quinolines and 1, 2, 3, 4-tetrahydro-quinoxaline derivatives as CETP inhibitors for the treatment of atherosclerosis and obesity PFIZER PROD INC (US) 2006-06-28 CN claimed
US-20060122224-A1 Quinoline and quinoxaline compounds BECHLE BRUCE M 2006-06-08 US claimed
WO-2006032987-A1 INDOLINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF ARTERIOSCLEROSIS PFIZER PRODUCTS INC. (US) 2006-03-30 WO claimed
EP-1622872-A1 1,2,4-SUBSTITUERTE 1,2,3,4-TETRAHYDRO-AND 1,2 DIHYDRO-QUINOLINE AND 1,2,3,4-TETRAHYDRO-QUINOXALINE DERIVATIVES AS CETP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND OBESITY Pfizer Products Inc. (US) 2006-02-08 EP claimed
US-20040204450-A1 Quinoline and quinoxaline compounds PFIZER INC 2004-10-14 US claimed
WO-2004085401-A1 1,2,4-SUBSTITUTED 1,2,3,4-TETRAHYDRO-AND 1,2 DIHYDRO-QUINOLINE AND 1,2,3,4-TETRAHYDRO-QUINOXALINE DERIVATIVES AS CETP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND OBESITY PFIZER PRODUCTS INC. (US) 2004-10-07 WO claimed
CN-1795177-A 1, 2, 4-substituted 1, 2, 3, 4-tetrahydro-and 1, 2 dihydro-quinolines and 1, 2, 3, 4-tetrahydro-quinoxaline derivatives as CETP inhibitors for the treatment of atherosclerosis and obesity PFIZER PROD INC (US) 2006-06-28 CN disclosed
US-20060122224-A1 Quinoline and quinoxaline compounds BECHLE BRUCE M 2006-06-08 US disclosed
WO-2006032987-A1 INDOLINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF ARTERIOSCLEROSIS PFIZER PRODUCTS INC. (US) 2006-03-30 WO disclosed
EP-1622872-A1 1,2,4-SUBSTITUERTE 1,2,3,4-TETRAHYDRO-AND 1,2 DIHYDRO-QUINOLINE AND 1,2,3,4-TETRAHYDRO-QUINOXALINE DERIVATIVES AS CETP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND OBESITY Pfizer Products Inc. (US) 2006-02-08 EP disclosed
US-20040204450-A1 Quinoline and quinoxaline compounds PFIZER INC 2004-10-14 US disclosed
WO-2004085401-A1 1,2,4-SUBSTITUTED 1,2,3,4-TETRAHYDRO-AND 1,2 DIHYDRO-QUINOLINE AND 1,2,3,4-TETRAHYDRO-QUINOXALINE DERIVATIVES AS CETP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND OBESITY PFIZER PRODUCTS INC. (US) 2004-10-07 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-20060122224-A1 Quinoline and quinoxaline compounds LDLR, APOB, PON1 CES2 487/4885NOTUM 696/4885MAPT 1181/4885
US-20040204450-A1 Quinoline and quinoxaline compounds LDLR, APOB, PON1 CES2 487/4885NOTUM 696/4885MAPT 1181/4885

“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.