SCHEMBL3272169

SCHEMBL3272169

O=C(Cc1ccnc(Cl)c1)c1ccc(OCc2ccc3ccccc3n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 3/20 0.60
ALOX5 P09917 3/20 0.53
CYSLTR1 Q9Y271 7/20 0.53
FFAR1 O14842 1/20 0.53
AKR1B1 P15121 1/20 0.53
PDE10A Q9Y233 3/20 0.52
CYSLTR2 Q9NS75 3/20 0.51

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
SCHEMBL3270051 0.86 GPBAR1 (0.66) GPBAR1ALOX5CYSLTR1FFAR1AKR1B1
SCHEMBL13772715 0.84 GPBAR1 (0.74) GPBAR1ALOX5CYSLTR1FFAR1AKR1B1
SCHEMBL3276054 0.83 GPBAR1 (0.62) GPBAR1ALOX5CYSLTR1FFAR1AKR1B1
SCHEMBL27716197 0.83 CYSLTR1 (0.52) GPBAR1ALOX5CYSLTR1FFAR1AKR1B1
SCHEMBL13772730 0.82 GPBAR1 (0.70) GPBAR1ALOX5CYSLTR1FFAR1AKR1B1
SCHEMBL3271686 0.81 PDE10A (0.65) GPBAR1ALOX5CYSLTR1FFAR1AKR1B1
SCHEMBL4150300 0.81 GPBAR1 (0.65) GPBAR1ALOX5CYSLTR1FFAR1AKR1B1
SCHEMBL3330176 0.81 ALOX5 (0.67) GPBAR1ALOX5CYSLTR1FFAR1AKR1B1
SCHEMBL27716200 0.79 CYSLTR1 (0.48) GPBAR1ALOX5CYSLTR1FFAR1AKR1B1
SCHEMBL13036699 0.77 GPBAR1 (0.74) GPBAR1ALOX5CYSLTR1FFAR1AKR1B1

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 1904/4885ALOX5 705/4885CYSLTR1 2546/4885
US-20080214607-A1 HETEROAROMATIC QUINOLINE COMPOUNDS PDE12, PDE7A, PDE4A GPBAR1 1904/4885ALOX5 705/4885CYSLTR1 2546/4885

“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.