SCHEMBL1026683

SCHEMBL1026683

CN(C(=O)CNCC(=O)N(CCN1CCCC1)c1ccccc1Cc1ccccc1)N1Cc2ccccc2C1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.40
SIGMAR1 Q99720 7/20 0.39
AHCY P23526 2/20 0.38
DRD3 P35462 4/20 0.38
OPRM1 P35372 1/20 0.37
NPY2R P49146 1/20 0.35
HRH1 P35367 5/20 0.35
DRD1 P21728 3/20 0.35
DRD4 P21917 3/20 0.35
DRD5 P21918 3/20 0.35
DRD2 P14416 2/20 0.35

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
SCHEMBL1027733 0.87 NPY2R (0.38) AHCYNPY2RHRH1
Hydrochloric Acid SCHEMBL1026921 0.86 AHCY (0.38) AHCYNPY2RHRH1
SCHEMBL1025650 0.81 NPY2R (0.36) AHCYNPY2R
SCHEMBL1026373 0.80 AHCY (0.51) HRH3SIGMAR1AHCY
SCHEMBL1025915 0.79 AHCY (0.50) HRH3SIGMAR1AHCY
SCHEMBL1026030 0.77 AHCY (0.46) HRH3SIGMAR1AHCYOPRM1
SCHEMBL11955929 0.77 AHCY (0.61) AHCY
Hydrochloric Acid SCHEMBL1026738 0.72 AHCY (0.38) AHCYDRD3
SCHEMBL1028031 0.71 AHCY (0.42) AHCYNPY2RHRH1
Hydrochloric Acid SCHEMBL1028279 0.70 KDM4E (0.35) AHCYDRD3

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 HRH3 2873/4885SIGMAR1 3532/4885AHCY 4108/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 HRH3 2328/4885SIGMAR1 4091/4885AHCY 4/4885

“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.