SCHEMBL3276255

SCHEMBL3276255

O=C(OCc1ccc2ccccc2n1)c1ccc(OCc2ccc3ccccc3n2)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 3/20 0.53
CYSLTR1 Q9Y271 8/20 0.53
PDE10A Q9Y233 2/20 0.49
CYSLTR2 Q9NS75 4/20 0.47

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
SCHEMBL3271474 0.89 GPBAR1 (0.67) GPBAR1CYSLTR1PDE10ACYSLTR2
SCHEMBL3271244 0.81 PDE10A (0.52) GPBAR1CYSLTR1PDE10ACYSLTR2
SCHEMBL3275392 0.81 PDE10A (0.48) GPBAR1CYSLTR1PDE10A
SCHEMBL3271540 0.80 GPBAR1 (0.48) GPBAR1CYSLTR1PDE10ACYSLTR2
SCHEMBL28031105 0.80 CYSLTR1 (0.80) GPBAR1CYSLTR1CYSLTR2
SCHEMBL9031804 0.79 FFAR1 (0.55) GPBAR1CYSLTR1PDE10ACYSLTR2
SCHEMBL9859312 0.78 CYSLTR1 (0.60) GPBAR1CYSLTR1PDE10ACYSLTR2
SCHEMBL28031114 0.78 GPBAR1 (0.53) GPBAR1CYSLTR1CYSLTR2
SCHEMBL9581742 0.77 FFAR1 (0.68) GPBAR1CYSLTR1PDE10ACYSLTR2
SCHEMBL3272995 0.77 CYSLTR1 (0.57) GPBAR1CYSLTR1PDE10ACYSLTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102491969-A Heteroaromatic quinoline compounds PFIZER PROD INC 2012-06-13 CN disclosed
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
CN-101098866-A Heteroaromatic quinoline compounds and their use as pde10 inhibitors PFIZER (US) 2008-01-02 CN 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 2546/4885PDE10A 8/4885
US-20080214607-A1 HETEROAROMATIC QUINOLINE COMPOUNDS PDE12, PDE7A, PDE4A GPBAR1 1904/4885CYSLTR1 2546/4885PDE10A 8/4885

“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.