SCHEMBL3271540

SCHEMBL3271540

O=C(OCc1ccc2ccccc2n1)c1ccc(OCc2ccc3ccccc3n2)c(F)c1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 3/20 0.48
CYSLTR1 Q9Y271 9/20 0.47
CYSLTR2 Q9NS75 5/20 0.47
ALOX5 P09917 1/20 0.46
ALOX5AP P20292 2/20 0.46
FFAR1 O14842 1/20 0.45
AKR1B1 P15121 1/20 0.45
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL3271777 0.88 GPBAR1 (0.56) GPBAR1CYSLTR1CYSLTR2ALOX5ALOX5AP
SCHEMBL28031114 0.84 GPBAR1 (0.53) GPBAR1CYSLTR1CYSLTR2ALOX5ALOX5AP
SCHEMBL3272300 0.82 ALOX5 (0.50) GPBAR1CYSLTR1CYSLTR2ALOX5ALOX5AP
SCHEMBL3270105 0.80 ALOX5 (0.48) GPBAR1CYSLTR1CYSLTR2ALOX5FFAR1
SCHEMBL3276255 0.80 GPBAR1 (0.53) GPBAR1CYSLTR1CYSLTR2PDE10A
SCHEMBL3272995 0.80 CYSLTR1 (0.57) GPBAR1CYSLTR1CYSLTR2ALOX5ALOX5AP
SCHEMBL28030556 0.80 CYSLTR1 (0.50) GPBAR1CYSLTR1CYSLTR2FFAR1AKR1B1
SCHEMBL10663946 0.78 CYSLTR1 (0.57) GPBAR1CYSLTR1CYSLTR2ALOX5ALOX5AP
SCHEMBL202543 0.76 GPBAR1 (0.48) GPBAR1CYSLTR1CYSLTR2ALOX5FFAR1
SCHEMBL9446947 0.75 CYSLTR1 (0.51) GPBAR1CYSLTR1CYSLTR2ALOX5ALOX5AP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825254-B2 Heteroaromatic quinoline compounds PFIZER INC. (US) 2010-11-02 US disclosed
EP-1841757-B1 HETEROAROMATIC QUINOLINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS PFIZER PROD INC (US) 2010-06-30 EP disclosed
US-7429665-B2 Heteroaromatic quinoline compounds PFIZER INC (US) 2008-09-30 US disclosed
US-20080214607-A1 HETEROAROMATIC QUINOLINE COMPOUNDS PFIZER INC 2008-09-04 US disclosed
EP-1841757-A2 HETEROAROMATIC QUINOLINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS Pfizer Products Incorporated (US) 2007-10-10 EP disclosed
US-20060154931-A1 Heteroaromatic quinoline compounds PFIZER INC 2006-07-13 US disclosed
WO-2006072828-A2 HETEROAROMATIC QUINOLINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS PFIZER PRODUCTS INC. (US) 2006-07-13 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-20060154931-A1 Heteroaromatic quinoline compounds PDE12, PDE7A, PDE4A GPBAR1 1904/4885CYSLTR1 2546/4885CYSLTR2 2451/4885
US-20080214607-A1 HETEROAROMATIC QUINOLINE COMPOUNDS PDE12, PDE7A, PDE4A GPBAR1 1904/4885CYSLTR1 2546/4885CYSLTR2 2451/4885

“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.