SCHEMBL1027381

SCHEMBL1027381

CC(C)NCCN(C(=O)CNCC(=O)N(C)N1Cc2ccccc2C1)c1cc(C(N)=O)ccc1Cl

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AHCY P23526 5/20 0.34
OPRK1 P41145 3/20 0.33
RORC P51449 1/20 0.32
HSD17B3 P37058 1/20 0.32
PIK3CA P42336 2/20 0.31
PIK3CB P42338 1/20 0.31
DPP4 P27487 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NAMPT P43490 1/20 0.30
NNMT P40261 1/20 0.30
OPRM1 P35372 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
SCHEMBL1028455 0.91 AHCY (0.34) AHCYOPRK1PIK3CAPIK3CBNAMPT
SCHEMBL1025961 0.91 AHCY (0.32) AHCYOPRK1HSD17B3DPP4NAMPT
Hydrochloric Acid SCHEMBL1029216 0.90 AHCY (0.33) AHCYOPRK1HSD17B3DPP4NAMPT
Hydrochloric Acid SCHEMBL1027831 0.89 AHCY (0.44) AHCY
Hydrochloric Acid SCHEMBL1029811 0.87 AHCY (0.37) AHCYNAMPT
Hydrochloric Acid SCHEMBL1025019 0.85 AHCY (0.35) AHCYPIK3CAPIK3CBNAMPTOPRM1
Hydrochloric Acid SCHEMBL1025440 0.83 AHCY (0.42) AHCY
Hydrochloric Acid SCHEMBL1028202 0.83 AHCY (0.36) AHCYMEN1KMT2A
SCHEMBL1028041 0.83 AHCY (0.32) AHCYOPRK1NAMPT
Hydrochloric Acid SCHEMBL1027054 0.82 AHCY (0.33) AHCYOPRK1NAMPT

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 AHCY 4108/4885OPRK1 4421/4885RORC 551/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 AHCY 4/4885OPRK1 4716/4885RORC 3468/4885

“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.