SCHEMBL5779950

SCHEMBL5779950

FCCc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.50
DAO P14920 2/20 0.46
TAAR1 Q96RJ0 2/20 0.45
CES2 O00748 1/20 0.39
TACR1 P25103 7/20 0.39
RAD52 P43351 1/20 0.37
DHODH Q02127 1/20 0.37
MAOB P27338 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36

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
SCHEMBL2793814 0.85 TAAR1 (0.43) IDO1DAOTAAR1MAOB
SCHEMBL626371 0.83 TAAR1 (0.64) IDO1DAOTAAR1RAD52DHODH
Hydrochloric Acid SCHEMBL1970957 0.81 TAAR1 (0.62) IDO1DAOTAAR1RAD52DHODH
SCHEMBL1587764 0.79 IDO1 (0.50) IDO1DAOTAAR1TACR1RAD52
SCHEMBL5776968 0.79 IDO1 (0.54) IDO1DAOTAAR1CES2TACR1
SCHEMBL6492763 0.78 IDO1 (0.48) IDO1DAOTAAR1CES2TACR1
SCHEMBL2600179 0.78 IDO1 (0.48) IDO1DAOTAAR1TACR1
SCHEMBL28842791 0.78 DAO (0.49) IDO1DAOTAAR1CES2TACR1
SCHEMBL15561899 0.78 IDO1 (0.48) IDO1DAOTAAR1CES2TACR1
SCHEMBL265044 0.78 IDO1 (0.48) IDO1DAOTAAR1CES2TACR1

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 10 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
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 1293/4885DAO 2279/4885TAAR1 1109/4885
US-20040204450-A1 Quinoline and quinoxaline compounds LDLR, APOB, PON1 IDO1 1293/4885DAO 2279/4885TAAR1 1109/4885

“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.