SCHEMBL1197920

SCHEMBL1197920

Cc1nc(-c2ccc(C)c(N(CC(=O)NCCN(C(=O)OC(C)(C)C)C(C)C)CC(=O)N(C)N3CCc4ccccc4C3)c2)no1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AHCY P23526 7/20 0.44
LMNA P02545 3/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HDAC4 P56524 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
DRD3 P35462 4/20 0.34
DRD2 P14416 3/20 0.34
KCNH2 Q12809 1/20 0.33
MAPT P10636 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
HTR2A P28223 1/20 0.33

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
SCHEMBL1026015 0.92 AHCY (0.37) AHCYLMNATSHRMAPK1HDAC4
SCHEMBL11974031 0.87 AHCY (0.46) AHCYLMNATSHRMAPK1HDAC4
Hydrochloric Acid SCHEMBL1196611 0.86 AHCY (0.45) AHCYLMNATSHRMAPK1HDAC4
SCHEMBL11895744 0.82 ACKR3 (0.40) LMNAHDAC4GPR119DRD3DRD2
SCHEMBL11975510 0.82 AHCY (0.44) AHCYLMNATSHRMAPK1HDAC4
SCHEMBL1029163 0.82 AHCY (0.39) AHCYLMNATSHRMAPK1HDAC4
SCHEMBL11903755 0.80 AHCY (0.53) AHCY
SCHEMBL11974610 0.80 AHCY (0.53) AHCYLMNATSHRMAPK1MAPT
SCHEMBL1197505 0.79 AHCY (0.51) AHCY
SCHEMBL11955796 0.78 AHCY (0.48) AHCYLMNATSHRMAPK1DRD3

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 2 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-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-02-10 US 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 (1 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-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 AHCY 4/4885LMNA 2551/4885TSHR 2667/4885

“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.