SCHEMBL11974751

SCHEMBL11974751

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

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AHCY P23526 15/20 0.49
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MTNR1A P48039 2/20 0.34
MTNR1B P49286 2/20 0.34
GAA P10253 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
SCHEMBL11955949 0.90 AHCY (0.60) AHCYMTNR1AMTNR1B
SCHEMBL11973955 0.88 AHCY (0.51) AHCYNPSR1
SCHEMBL11976170 0.87 AHCY (0.46) AHCY
Hydrochloric Acid SCHEMBL11903891 0.87 AHCY (0.53) AHCYNPSR1
SCHEMBL11974717 0.87 AHCY (0.55) AHCY
SCHEMBL11974060 0.86 AHCY (0.49) AHCYALDH1A1GAA
SCHEMBL11975082 0.86 AHCY (0.49) AHCYNPSR1
Hydrochloric Acid SCHEMBL11896407 0.85 AHCY (0.51) AHCYALDH1A1GAA
SCHEMBL11976169 0.85 AHCY (0.49) AHCYALDH1A1KDM4EMTNR1AMTNR1B
SCHEMBL12722581 0.85 AHCY (0.47) AHCYHTTNPSR1

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-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
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
WO-2009125853-A1 HOMOCYSTEINE SYNTHASE INHIBITOR 田辺三菱製薬株式会社 (JP) 2009-10-15 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-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION FABP7, TIMP3, MMP11 AHCY 4108/4885ALDH1A1 180/4885KDM4E 3723/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 AHCY 4/4885ALDH1A1 600/4885KDM4E 2360/4885

“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.