SCHEMBL3270954

SCHEMBL3270954

COC(=O)c1ccc(CCc2ccc3ccccc3n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 3/20 0.56
DRD2 P14416 1/20 0.51
TBXA2R P21731 1/20 0.51
TLR8 Q9NR97 1/20 0.49
TLR7 Q9NYK1 1/20 0.49
FFAR1 O14842 1/20 0.49
AKR1B1 P15121 1/20 0.49
CYP4A11 Q02928 2/20 0.49
NPC1 O15118 2/20 0.48
MAPT P10636 2/20 0.48
RAB9A P51151 2/20 0.48
CYP4F2 P78329 1/20 0.48
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 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
SCHEMBL21369314 0.84 HDAC1 (0.59) CYSLTR1DRD2TBXA2RNPC1MAPT
SCHEMBL3271805 0.83 GPBAR1 (0.62) CYSLTR1FFAR1AKR1B1HDAC1HDAC2
SCHEMBL3271062 0.82 PDE10A (0.50) CYSLTR1FFAR1AKR1B1HDAC1HDAC2
SCHEMBL3271439 0.80 CYSLTR1 (0.76) CYSLTR1FFAR1AKR1B1GPBAR1CYSLTR2
SCHEMBL28002003 0.79 MEN1 (0.55) CYSLTR1FFAR1AKR1B1NPC1MAPT
SCHEMBL18546229 0.79 FFAR1 (0.48) CYSLTR1FFAR1AKR1B1GPBAR1CYSLTR2
SCHEMBL26771304 0.78 CYSLTR1 (0.65) CYSLTR1FFAR1AKR1B1GPBAR1CYSLTR2
SCHEMBL1928912 0.77 TSHR (0.67) CYP4A11NPC1MAPTRAB9ACYP4F2
SCHEMBL19617458 0.77 HDAC6 (0.70) CYSLTR1DRD2TBXA2RNPC1MAPT
SCHEMBL31724971 0.77 HDAC6 (0.70) CYSLTR1DRD2TBXA2RNPC1MAPT

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 CYSLTR1 2546/4885DRD2 1507/4885TBXA2R 503/4885
US-20080214607-A1 HETEROAROMATIC QUINOLINE COMPOUNDS PDE12, PDE7A, PDE4A CYSLTR1 2546/4885DRD2 1507/4885TBXA2R 503/4885

“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.