SCHEMBL6282799

SCHEMBL6282799

CCCCCCCN(CCCCC)c1ccc(CN)cc1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 12/20 0.46
HTR2A P28223 1/20 0.44
KCNH2 Q12809 2/20 0.39

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
SCHEMBL6279824 0.96 CNR2 (0.43) CNR2HTR2AKCNH2
SCHEMBL20161341 0.92 MAPT (0.43) CNR2HTR2A
SCHEMBL1815516 0.86 CNR2 (0.46) CNR2KCNH2
SCHEMBL12677177 0.86 CNR2 (0.46) CNR2KCNH2
SCHEMBL29138370 0.85 CNR2 (0.48) CNR2KCNH2
SCHEMBL29138376 0.85 CNR2 (0.48) CNR2KCNH2
SCHEMBL29138372 0.85 CNR2 (0.48) CNR2KCNH2
SCHEMBL29138379 0.85 CNR2 (0.48) CNR2KCNH2
SCHEMBL29138371 0.85 CNR2 (0.48) CNR2KCNH2
SCHEMBL29138336 0.85 CNR2 (0.48) CNR2KCNH2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6911468-B2 Tyrosine phosphatase inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-06-28 US disclosed
US-20030144338-A1 Tyrosine phosphatase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-07-31 US disclosed
EP-1284260-A1 TYROSINE PHOSPHATASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2003-02-19 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 (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-20030144338-A1 Tyrosine phosphatase inhibitors PTPRC, PTPN1, PTPRM CNR2 3009/4885HTR2A 4225/4885KCNH2 3043/4885

“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.