SCHEMBL1024698

SCHEMBL1024698

Cc1ccc2c(c1)CN(N(C)C(=O)OC(C)(C)C)C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.39
DPP8 Q6V1X1 3/20 0.38
DPP9 Q86TI2 2/20 0.38
DPP7 Q9UHL4 1/20 0.38
NR1H2 P55055 1/20 0.38
HDAC1 Q13547 1/20 0.37
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
DPP4 P27487 2/20 0.34
KCNH2 Q12809 1/20 0.34
FAP Q12884 1/20 0.34
HDAC8 Q9BY41 3/20 0.33
NAMPT P43490 2/20 0.33
GPR119 Q8TDV5 2/20 0.33
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
NOTUM Q6P988 1/20 0.33
CYP1A2 P05177 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL27832769 0.85 DPP9 (0.47) ESR2DPP8DPP9DPP7DPP4
SCHEMBL1027418 0.84 MAPK1 (0.42) ESR2NAMPTNOTUM
SCHEMBL2056300 0.77 ESR2 (0.58) ESR2DPP8DPP9DPP7NR1H2
SCHEMBL1025293 0.75 MMP9 (0.33) ESR2NR1H2KCNH2CYP1A2CYP2C19
SCHEMBL27812458 0.72 KCNH2 (0.42) DPP8DPP9DPP7DDB1CRBN
SCHEMBL2056208 0.69 ESR2 (0.76) ESR2NR1H2HDAC1DDB1CRBN
SCHEMBL12252190 0.69 NR1H2 (0.74) ESR2NR1H2HDAC1DDB1CRBN
SCHEMBL1026720 0.69 PREP (0.35) HDAC1HDAC6
SCHEMBL25992122 0.67 PTPN1 (0.46) ESR2NR1H2HDAC8LMNANPSR1
SCHEMBL19480154 0.67 HDAC8 (0.43) ESR2NR1H2HDAC1HDAC8NAMPT

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 ESR2 4723/4885DPP8 2320/4885DPP9 1542/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 ESR2 4841/4885DPP8 2916/4885DPP9 1760/4885

“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.