SCHEMBL11973992

SCHEMBL11973992

CCNCCNC(=O)CN(CC(=O)N(C)N1Cc2ccc(F)cc2C1)c1cc2nn(CC)c(C)c2cc1C

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AHCY P23526 5/20 0.47
P2RX7 Q99572 2/20 0.33
NAMPT P43490 4/20 0.31
DPP8 Q6V1X1 1/20 0.30
DPP9 Q86TI2 1/20 0.30

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
SCHEMBL11974089 0.94 AHCY (0.45) AHCYNAMPTDPP8DPP9
SCHEMBL11975767 0.94 AHCY (0.45) AHCYP2RX7NAMPT
SCHEMBL11974088 0.92 AHCY (0.47) AHCYP2RX7NAMPTDPP8DPP9
SCHEMBL11975761 0.89 AHCY (0.46) AHCYP2RX7NAMPTDPP8DPP9
SCHEMBL11974090 0.89 AHCY (0.44) AHCYNAMPTDPP8DPP9
SCHEMBL11976240 0.88 AHCY (0.46) AHCYNAMPT
SCHEMBL11975228 0.87 AHCY (0.52) AHCY
SCHEMBL11974001 0.86 AHCY (0.44) AHCYNAMPT
SCHEMBL11975285 0.86 AHCY (0.44) AHCYNAMPT
SCHEMBL11974846 0.85 AHCY (0.43) AHCY

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 3 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
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 4108/4885P2RX7 3776/4885NAMPT 363/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 AHCY 4/4885P2RX7 4787/4885NAMPT 134/4885

“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.