SCHEMBL13036699

SCHEMBL13036699

CCC(=O)c1ccc(OCc2ccc3ccccc3n2)cc1

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 3/20 0.74
PDE10A Q9Y233 5/20 0.65
CYSLTR1 Q9Y271 7/20 0.62
CYSLTR2 Q9NS75 4/20 0.62
ALOX5 P09917 1/20 0.61
FFAR1 O14842 1/20 0.60
AKR1B1 P15121 1/20 0.60

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
SCHEMBL10735112 0.87 GPBAR1 (0.66) GPBAR1PDE10ACYSLTR1CYSLTR2ALOX5
SCHEMBL3271764 0.86 GPBAR1 (0.78) GPBAR1PDE10ACYSLTR1CYSLTR2ALOX5
SCHEMBL7599570 0.86 GPBAR1 (0.82) GPBAR1PDE10ACYSLTR1CYSLTR2ALOX5
SCHEMBL421067 0.85 GPBAR1 (1.00) GPBAR1PDE10ACYSLTR1CYSLTR2FFAR1
SCHEMBL13772715 0.85 GPBAR1 (0.74) GPBAR1PDE10ACYSLTR1CYSLTR2ALOX5
SCHEMBL14021543 0.85 GPBAR1 (0.70) GPBAR1PDE10ACYSLTR1CYSLTR2ALOX5
SCHEMBL3271439 0.84 CYSLTR1 (0.76) GPBAR1PDE10ACYSLTR1CYSLTR2ALOX5
SCHEMBL9151914 0.84 GPBAR1 (0.66) GPBAR1PDE10ACYSLTR1CYSLTR2ALOX5
SCHEMBL9581618 0.84 GPBAR1 (0.97) GPBAR1PDE10ACYSLTR1CYSLTR2FFAR1
SCHEMBL3270032 0.84 GPBAR1 (0.78) GPBAR1PDE10ACYSLTR1CYSLTR2ALOX5

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 3 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20080214607-A1 HETEROAROMATIC QUINOLINE COMPOUNDS PDE12, PDE7A, PDE4A GPBAR1 1904/4885PDE10A 8/4885CYSLTR1 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.