SCHEMBL1025915

SCHEMBL1025915

Cc1ccc(Cl)cc1N(CCN1CCCC1)C(=O)CNCC(=O)N(C)N1Cc2ccccc2C1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AHCY P23526 12/20 0.50
EPHX2 P34913 3/20 0.41
HRH3 Q9Y5N1 2/20 0.39
SIGMAR1 Q99720 1/20 0.37
TSHR P16473 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
SCHEMBL1026373 0.92 AHCY (0.51) AHCYEPHX2HRH3SIGMAR1
SCHEMBL1029809 0.86 AHCY (0.48) AHCYSIGMAR1TSHR
Hydrochloric Acid SCHEMBL1025505 0.86 AHCY (0.44) AHCYTSHR
SCHEMBL1026715 0.86 AHCY (0.42) AHCYSIGMAR1TSHR
SCHEMBL1026030 0.85 AHCY (0.46) AHCYHRH3SIGMAR1
Hydrochloric Acid SCHEMBL1028317 0.85 AHCY (0.52) AHCYSIGMAR1
Hydrochloric Acid SCHEMBL1027965 0.84 AHCY (0.48) AHCYSIGMAR1
Hydrochloric Acid SCHEMBL1029987 0.83 AHCY (0.45) AHCYSIGMAR1TSHR
SCHEMBL1026757 0.81 AHCY (0.44) AHCY
SCHEMBL1026683 0.79 HRH3 (0.40) AHCYHRH3SIGMAR1

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 4 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-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 4108/4885EPHX2 1382/4885HRH3 2873/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 AHCY 4/4885EPHX2 682/4885HRH3 2328/4885

“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.