SCHEMBL5779082

SCHEMBL5779082

COCCc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.48
CACNA1H O95180 1/20 0.45
DAO P14920 1/20 0.41
TACR1 P25103 9/20 0.39
GPR84 Q9NQS5 1/20 0.39
USP2 O75604 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CACNA1F O60840 1/20 0.36
CACNA1D Q01668 1/20 0.36
CACNA1S Q13698 1/20 0.36
CACNA1C Q13936 1/20 0.36
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL7198646 0.83 IDO1 (0.52) IDO1DAOTACR1GPR84TAAR1
SCHEMBL24615983 0.81 TAAR1 (0.61) IDO1DAOTAAR1
SCHEMBL15738738 0.80 IDO1 (0.42) IDO1CACNA1HDAOTACR1GPR84
SCHEMBL14274242 0.79 TAAR1 (0.55) IDO1DAOTAAR1
SCHEMBL280585 0.78 IDO1 (0.63) IDO1CACNA1HTACR1USP2ALDH1A1
SCHEMBL19794310 0.77 ENPP2 (0.36) DAOALDH1A1CYP2D6TSHR
SCHEMBL3154124 0.76 RHOC (0.49) IDO1TACR1ALDH1A1CYP1A2CYP2C19
SCHEMBL16726983 0.76 IDO1 (0.42) IDO1DAOTACR1GPR84USP2
SCHEMBL5663864 0.76 TACR1 (0.42) IDO1DAOTACR1USP2CYP1A2
SCHEMBL2600179 0.76 IDO1 (0.48) IDO1DAOTACR1TAAR1

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
JP-2006521344-A 2006-09-21 JP 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
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 IDO1 1293/4885CACNA1H 3446/4885DAO 2279/4885
US-20040204450-A1 Quinoline and quinoxaline compounds LDLR, APOB, PON1 IDO1 1293/4885CACNA1H 3446/4885DAO 2279/4885

“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.