SCHEMBL1025650

SCHEMBL1025650

CN(CCN(C(=O)CNCC(=O)N(C)N1Cc2ccccc2C1)c1ccccc1Cc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPY2R P49146 1/20 0.36
AHCY P23526 3/20 0.34
METAP2 P50579 1/20 0.34
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33
ACKR3 P25106 1/20 0.32
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CTSS P25774 1/20 0.32
PTPN1 P18031 2/20 0.31
GBA1 P04062 1/20 0.31
NAMPT P43490 1/20 0.31
SCN1A P35498 1/20 0.31
SCN2A Q99250 1/20 0.31
SCN3A Q9NY46 1/20 0.31
AKT1 P31749 2/20 0.31

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
SCHEMBL1196800 0.87 AHCY (0.35) AHCYMETAP2ACKR3CTSLCTSB
SCHEMBL1027733 0.85 NPY2R (0.38) NPY2RAHCYPTPN1NAMPT
Hydrochloric Acid SCHEMBL1026921 0.84 AHCY (0.38) NPY2RAHCYPTPN1NAMPT
SCHEMBL1024250 0.82 AHCY (0.45) AHCYMETAP2
SCHEMBL1026683 0.81 HRH3 (0.40) NPY2RAHCY
SCHEMBL1026757 0.81 AHCY (0.44) AHCYMETAP2
SCHEMBL11903790 0.80 AHCY (0.51) AHCYMETAP2
SCHEMBL1026022 0.78 ACKR3 (0.37) AHCYMETAP2ACKR3NAMPT
SCHEMBL1027927 0.75 AHCY (0.39) AHCYACKR3
SCHEMBL1027486 0.75 AHCY (0.37) AHCYACKR3NAMPT

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 NPY2R 2353/4885AHCY 4108/4885METAP2 1767/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 NPY2R 4843/4885AHCY 4/4885METAP2 308/4885

“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.