SCHEMBL4933770

SCHEMBL4933770

NC(=O)c1n[nH]c2c1C1CCC2C1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 16/20 0.44
PNP P00491 1/20 0.35
SYK P43405 1/20 0.35
SLC6A4 P31645 1/20 0.35
CDK2 P24941 2/20 0.32
CCNA2 P20248 1/20 0.32
CCNA1 P78396 1/20 0.32
CCNE2 O96020 1/20 0.31
CDK4 P11802 1/20 0.31
CCND1 P24385 1/20 0.31
CCNE1 P24864 1/20 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
SCHEMBL21995952 0.84 HCAR2 (0.57) HCAR2SLC6A4
SCHEMBL1431657 0.84 HCAR2 (0.57) HCAR2SLC6A4
SCHEMBL684877 0.83 HCAR2 (0.44) HCAR2SLC6A4CDK2CCNE2CCNE1
SCHEMBL24877924 0.75 KDM4E (0.43) HCAR2
SCHEMBL679590 0.75 KDM4E (0.43) HCAR2
SCHEMBL6371962 0.75 HCAR2 (0.50) HCAR2PNPSYKSLC6A4CDK2
SCHEMBL1433023 0.72 CDK2 (0.50) HCAR2CDK2CCNA2CCNA1
SCHEMBL6371070 0.69 PNP (0.48) HCAR2PNPSYKSLC6A4CDK2
SCHEMBL6691730 0.69 PNP (0.48) HCAR2PNPSYKSLC6A4CDK2
SCHEMBL30823965 0.69 RIPK1 (0.45) HCAR2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080200501-A1 NOVEL CANNABINOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESSES FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS S.A. (CH) 2008-08-21 US claimed

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-20080200501-A1 NOVEL CANNABINOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESSES FOR THEIR PREPARATION CNR2, CNR1, OPRL1 HCAR2 120/4885PNP 4558/4885SYK 3762/4885

“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.