SCHEMBL3280703

SCHEMBL3280703

Cc1ccc2c(CN)c[nH]c2c1

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.75
HTR1D P28221 1/20 0.56
PCSK9 Q8NBP7 1/20 0.52
HTR2B P41595 1/20 0.50
MPO P05164 1/20 0.50
HTR2C P28335 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NR3C1 P04150 2/20 0.46
NR4A2 P43354 1/20 0.45
GPR84 Q9NQS5 2/20 0.44
ALKBH5 Q6P6C2 1/20 0.44
FTO Q9C0B1 1/20 0.44
NR3C2 P08235 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
SCHEMBL1971468 0.86 HTR2A (1.00) HTR2AHTR1DHTR2BMPOHTR2C
SCHEMBL29005983 0.85 HTR2A (0.69) HTR2AHTR1DPCSK9MEN1KMT2A
Hydrochloric Acid SCHEMBL6087688 0.84 HTR2A (0.97) HTR2AHTR1DHTR2BMPOHTR2C
SCHEMBL12233833 0.83 HTR2A (0.67) HTR2AHTR1DPCSK9HTR2BHTR2C
Cyanide SCHEMBL28683331 0.82 HTR2A (0.91) HTR2AHTR1DHTR2BMPOHTR2C
SCHEMBL4612891 0.81 HTR2A (0.65) HTR2AHTR1DPCSK9HTR2BHTR2C
SCHEMBL14350588 0.81 HTR2A (0.65) HTR2AHTR1DPCSK9HTR2BHTR2C
SCHEMBL3083003 0.81 HTR2A (0.65) HTR2AHTR1DPCSK9HTR2BHTR2C
SCHEMBL24913225 0.81 HTR2A (0.66) HTR2AHTR1DHTR2BHTR2CNR3C1
SCHEMBL27220697 0.81 HTR2A (0.66) HTR2AHTR1DHTR2BHTR2CNR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7705034-B2 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. (US) 2010-04-27 US disclosed
US-7612099-B2 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. (US) 2009-11-03 US disclosed
CN-101522615-A Vinylogous acids derivatives as chymase inhibitors HOFFMANN LA ROCHE (CH) 2009-09-02 CN disclosed
EP-2074090-A1 VINYLOGOUS ACIDS DERIVATIVES AS CHYMASE INHIBITORS F. Hoffmann-Roche AG (CH) 2009-07-01 EP disclosed
CN-101321749-A Novel vinylogous acid derivatives HOFFMANN LA ROCHE (CH) 2008-12-10 CN disclosed
EP-1957483-A1 NOVEL VINYLOGOUS ACIDS DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-08-20 EP disclosed
US-20080096953-A1 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. 2008-04-24 US disclosed
WO-2008043698-A1 VINYLOGOUS ACIDS DERIVATIVES AS CHYMASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-04-17 WO disclosed
WO-2007063010-A1 NOVEL VINYLOGOUS ACIDS DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 WO disclosed
US-20070129421-A1 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. 2007-06-07 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 (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-20080096953-A1 Vinylogous acid derivatives CMA1, TPSG1, GAA HTR2A 3360/4885HTR1D 2108/4885PCSK9 176/4885
US-20070129421-A1 Vinylogous acid derivatives CMA1, TPSG1, TPSAB1 HTR2A 2869/4885HTR1D 1799/4885PCSK9 116/4885

“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.