SCHEMBL1028041

SCHEMBL1028041

Cc1ccc(C(=O)O)cc1N(CCNC(C)C)C(=O)CNCC(=O)N(C)N1Cc2ccccc2C1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AHCY P23526 3/20 0.32
NAMPT P43490 4/20 0.31
OPRK1 P41145 1/20 0.31
ACKR3 P25106 1/20 0.30
KDM5B Q9UGL1 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
Hydrochloric Acid SCHEMBL1027054 0.99 AHCY (0.33) AHCYNAMPTOPRK1
SCHEMBL1025802 0.93 AHCY (0.32) AHCYNAMPT
SCHEMBL1025961 0.92 AHCY (0.32) AHCYNAMPTOPRK1
Hydrochloric Acid SCHEMBL1026526 0.92 AHCY (0.33) AHCYNAMPT
Hydrochloric Acid SCHEMBL1029216 0.91 AHCY (0.33) AHCYNAMPTOPRK1
SCHEMBL1026715 0.89 AHCY (0.42) AHCY
SCHEMBL1028263 0.88 AHCY (0.32) AHCYNAMPT
Hydrochloric Acid SCHEMBL1197742 0.88 AHCY (0.34) AHCY
SCHEMBL1027726 0.86 NAMPT (0.32) AHCYNAMPT
Hydrochloric Acid SCHEMBL1027904 0.85 AHCY (0.33) AHCYNAMPT

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 4108/4885NAMPT 363/4885OPRK1 4421/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 AHCY 4/4885NAMPT 134/4885OPRK1 4716/4885

“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.