SCHEMBL11955949

SCHEMBL11955949

CNCCNC(=O)CN(CC(=O)N(C)N1Cc2ccccc2C1)c1ccccc1-c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AHCY P23526 16/20 0.60
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 0.36
NAMPT P43490 1/20 0.34
DRD3 P35462 1/20 0.34

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
SCHEMBL11974751 0.90 AHCY (0.49) AHCYMTNR1AMTNR1B
SCHEMBL11955930 0.85 AHCY (0.59) AHCYNAMPT
SCHEMBL1030145 0.84 AHCY (0.41) AHCY
SCHEMBL12722211 0.84 AHCY (0.74) AHCY
SCHEMBL11955936 0.81 AHCY (0.75) AHCY
SCHEMBL11955828 0.80 AHCY (0.74) AHCY
SCHEMBL11974032 0.80 AHCY (0.60) AHCY
SCHEMBL12722580 0.79 AHCY (0.65) AHCY
SCHEMBL12722584 0.78 AHCY (0.81) AHCY
SCHEMBL11976170 0.78 AHCY (0.46) AHCYNAMPT

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-8513235-B2 Homocysteine synthase inhibitor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-08-20 US disclosed
US-8513235-B2 Homocysteine synthase inhibitor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-08-20 US disclosed
US-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-08-02 US disclosed
US-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-08-02 US disclosed
WO-2011043479-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION 田辺三菱製薬株式会社 (JP) 2011-04-14 WO disclosed
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-02-10 US disclosed
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-02-10 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-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION FABP7, TIMP3, MMP11 AHCY 4108/4885MTNR1A 108/4885MTNR1B 240/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 AHCY 4/4885MTNR1A 1824/4885MTNR1B 2058/4885

“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.