SCHEMBL1026739

SCHEMBL1026739

CCN(C(=O)OC(C)(C)C)N1Cc2ccccc2C1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 6/20 0.41
▸ MAPK1 P28482 1/20 0.39
▸ RIPK1 Q13546 1/20 0.38
▸ DRD2 P14416 4/20 0.38
▸ NOTUM Q6P988 1/20 0.38
▸ NR1I3 Q14994 1/20 0.37
▸ PRMT5 O14744 1/20 0.37
▸ WDR77 Q9BQA1 1/20 0.37
▸ BCHE P06276 2/20 0.37
▸ MMP9 P14780 2/20 0.36
▸ MMP1 P03956 1/20 0.36
▸ MMP3 P08254 1/20 0.36
▸ ADAM17 P78536 1/20 0.36
▸ ADAM9 Q13443 1/20 0.36

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
SCHEMBL1027418 0.80 MAPK1 (0.42) NAMPTMAPK1RIPK1DRD2NOTUM
SCHEMBL4623383 0.75 NAMPT (0.44) NAMPTMAPK1DRD2PRMT5WDR77
SCHEMBL1512975 0.73 NPSR1 (0.42) —
SCHEMBL3124690 0.73 DRD4 (0.38) NAMPTDRD2MMP3
SCHEMBL18505994 0.71 SMN1; SMN2 (0.47) —
SCHEMBL4839899 0.71 SIGMAR1 (0.33) —
SCHEMBL7470680 0.70 NFKB1 (0.35) NAMPT
SCHEMBL6204851 0.69 MAPK1 (0.52) NAMPTMAPK1RIPK1NOTUMPRMT5
SCHEMBL5183098 0.69 MAPK1 (0.64) NAMPTMAPK1RIPK1NOTUMPRMT5
SCHEMBL29676965 0.69 MAPK1 (0.64) NAMPTMAPK1RIPK1NOTUMPRMT5

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
EP-2486925-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION Mitsubishi Tanabe Pharma Corporation (JP) 2012-08-15 — — EP 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
EP-2275404-A1 HOMOCYSTEINE SYNTHASE INHIBITOR Mitsubishi Tanabe Pharma Corporation (JP) 2011-01-19 — — EP 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 NAMPT 363/4885MAPK1 977/4885RIPK1 3753/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 NAMPT 134/4885MAPK1 1248/4885RIPK1 1104/4885

“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.

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