SCHEMBL4856152

SCHEMBL4856152

CCC(CC)(CN)c1cccc(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.50
TAAR1 Q96RJ0 3/20 0.46
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.44
IDO1 P14902 2/20 0.42
AGXT P21549 2/20 0.42
ACHE P22303 1/20 0.41
MAOB P27338 4/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
HTR2B P41595 2/20 0.40
PARP1 P09874 1/20 0.39

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
SCHEMBL19126969 0.80 KIF11 (0.38) KIF11PARP1
SCHEMBL8071681 0.80 HRH3 (0.49) ALDH1A1
SCHEMBL8210845 0.80 KIF11 (0.49) KIF11TAAR1ALDH1A1CYP3A4IDO1
SCHEMBL1479166 0.79 TAAR1 (0.53) KIF11TAAR1ALDH1A1CYP3A4IDO1
SCHEMBL15552915 0.79 KIF11 (0.53) KIF11TAAR1ALDH1A1CYP3A4IDO1
SCHEMBL8508653 0.78 KIF11 (0.45) KIF11TAAR1ALDH1A1CYP3A4IDO1
Hydrochloric Acid SCHEMBL8508345 0.77 TAAR1 (0.52) KIF11TAAR1ALDH1A1CYP3A4IDO1
SCHEMBL29058872 0.77 KIF11 (0.51) KIF11TAAR1ALDH1A1CYP3A4IDO1
SCHEMBL20097903 0.77 ACHE (0.50) KIF11TAAR1ALDH1A1CYP3A4IDO1
SCHEMBL6620290 0.77 TSHR (0.48) KIF11TAAR1ALDH1A1CYP3A4MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7462613-B2 Pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-12-09 US disclosed
US-7309701-B2 Pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-12-18 US disclosed
EP-1611121-B1 PYRIDAZINONE DERIVATIVES AS CDK2-INHIBITORS AVENTIS PHARMA SA (FR) 2007-08-08 EP disclosed
EP-1581505-B1 PYRIDAZINONE DERIVATIVES AS GSK-3BETA INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2007-08-01 EP disclosed
US-20050026918-A1 Novel pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-02-03 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-20050026918-A1 Novel pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them C5, ADRA2C, ADRA1A KIF11 1473/4885TAAR1 350/4885ALDH1A1 370/4885

“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.