SCHEMBL4929293

SCHEMBL4929293

O=C(O)CC(C(=O)O)C1CNCCc2c1ccc(Cl)c2NCc1ccc(-c2csc(NCC3CC3)n2)nc1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCNK O75909 7/20 0.34
CDK9 P50750 7/20 0.34
NPY5R Q15761 4/20 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
SCHEMBL4927742 0.88 MAPT (0.34) CCNKCDK9
SCHEMBL4923068 0.88 LMNA (0.33) CCNKCDK9
SCHEMBL4927106 0.84 ALDH1A1 (0.42)
Succinic Acid SCHEMBL2589228 0.82 CCNK (0.36) CCNKCDK9NPY5R
SCHEMBL4919644 0.82 RAB9A (0.35)
SCHEMBL12175427 0.80 CCNK (0.40) CCNKCDK9NPY5R
SCHEMBL13685572 0.79 CLK4 (0.34) CDK9
SCHEMBL13685707 0.79 CLK4 (0.35)
SCHEMBL4928912 0.75 HRH3 (0.34)
SCHEMBL4243300 0.74 CCNT1 (0.38) CDK9

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-20080269196-A1 6-Arylalkylamino-2,3,4,5-Tetrahydro-1H-Benzo[D]Azepines as 5-Ht2c Receptor Agonists ELI LILLY AND COMPANY 2008-10-30 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-20080269196-A1 6-Arylalkylamino-2,3,4,5-Tetrahydro-1H-Benzo[D]Azepines as 5-Ht2c Receptor Agonists HTR2C, HTR1A, HTR2A CCNK 3107/4885CDK9 3502/4885NPY5R 39/4885

“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.