SCHEMBL1026030

SCHEMBL1026030

CN(C(=O)CNCC(=O)N(CCN1CCCC1)c1cccc(Cl)c1)N1Cc2ccccc2C1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AHCY P23526 2/20 0.46
SIGMAR1 Q99720 2/20 0.43
HRH3 Q9Y5N1 2/20 0.42
OPRM1 P35372 1/20 0.39
CCR5 P51681 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HTR7 P34969 1/20 0.38
USP2 O75604 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
UTS2R Q9UKP6 1/20 0.37
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37

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 0.86 AHCY (0.51) AHCYSIGMAR1HRH3
SCHEMBL1025915 0.85 AHCY (0.50) AHCYSIGMAR1HRH3
SCHEMBL1026683 0.77 HRH3 (0.40) AHCYSIGMAR1HRH3OPRM1
SCHEMBL11955931 0.76 AHCY (0.69) AHCY
SCHEMBL1024510 0.74 MMP1 (0.34) AHCYPRMT5
Hydrochloric Acid SCHEMBL1197197 0.73 MMP1 (0.34) AHCYUTS2RPRMT5
Hydrochloric Acid SCHEMBL1028995 0.71 AHCY (0.50) AHCYSIGMAR1ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL1025505 0.71 AHCY (0.44) AHCYOPRM1MEN1KMT2AHTR7
SCHEMBL1029809 0.71 AHCY (0.48) AHCYSIGMAR1OPRM1ALDH1A1MEN1
Hydrochloric Acid SCHEMBL1027831 0.71 AHCY (0.44) AHCYSIGMAR1

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 4108/4885SIGMAR1 3532/4885HRH3 2873/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 AHCY 4/4885SIGMAR1 4091/4885HRH3 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.