SCHEMBL1025869

SCHEMBL1025869

Cc1ccc(C#N)cc1N(CCN(C(=O)OC(C)(C)C)C(C)C)C(=O)CNCC(=O)N(C)N1Cc2ccc(F)cc2C1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.34
TMEM97 Q5BJF2 2/20 0.34
SIGMAR1 Q99720 2/20 0.34
FPR1 P21462 2/20 0.32
FPR2 P25090 2/20 0.32
AHCY P23526 1/20 0.32
DRD2 P14416 1/20 0.31
DPP8 Q6V1X1 2/20 0.31
DPP9 Q86TI2 2/20 0.31
NAMPT P43490 2/20 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
SCHEMBL1027452 0.92 AHCY (0.36) AHCYDRD2
SCHEMBL1197540 0.92 AHCY (0.33) AHCYDRD2NAMPT
SCHEMBL1027267 0.90 AHCY (0.32) KCNH2TMEM97SIGMAR1FPR1FPR2
SCHEMBL1027978 0.89 AHCY (0.38) AHCY
SCHEMBL1025815 0.89 KCNH2 (0.34) KCNH2TMEM97SIGMAR1AHCYDPP8
SCHEMBL1027218 0.88 KCNH2 (0.34) KCNH2TMEM97SIGMAR1AHCYDPP8
SCHEMBL1028288 0.87 AHCY (0.37) AHCY
SCHEMBL1024974 0.86 AHCY (0.35) AHCY
SCHEMBL1197827 0.86 AHCY (0.36) AHCYDRD2
SCHEMBL1028067 0.85 AHCY (0.37) AHCYDRD2

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-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 (1 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-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 KCNH2 3827/4885TMEM97 4359/4885SIGMAR1 4091/4885

“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.