SCHEMBL1945992

SCHEMBL1945992

COc1ccc([C@@H]2CN(c3ccc(=O)n(C)n3)C(C)[C@H]2C(=O)O)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
STAT3 P40763 1/20 0.43
CPS1 P31327 11/20 0.40
FPR1 P21462 5/20 0.36
FPR2 P25090 4/20 0.36
MC4R P32245 2/20 0.36
BRD4 O60885 1/20 0.34

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
SCHEMBL1919958 0.88 MC4R (0.40) MC4R
SCHEMBL1919904 0.82 MC4R (0.45) KDM4ESTAT3CPS1FPR1FPR2
SCHEMBL1948149 0.80 MC4R (0.42) CPS1FPR1FPR2MC4R
SCHEMBL1945989 0.77 MC4R (0.43) KDM4ESTAT3CPS1FPR1FPR2
SCHEMBL15039514 0.74 KDM4E (0.39) KDM4ESTAT3CPS1FPR1FPR2
SCHEMBL1945899 0.71 PDE10A (0.34) BRD4
SCHEMBL1946750 0.71 SIGMAR1 (0.45) CPS1
SCHEMBL1946770 0.70 DPP4 (0.47) MC4R
SCHEMBL1920198 0.69 KMT2A (0.48) CPS1FPR1FPR2MC4R
SCHEMBL13493164 0.69 MC4R (0.52) MC4R

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-20110136814-A1 Diazepine and Diazocane Compounds As MC4 Agonists ANDREWS MARK DAVID 2011-06-09 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-20110136814-A1 Diazepine and Diazocane Compounds As MC4 Agonists MC4R, CHRM4, GPR4 KDM4E 804/4885STAT3 4055/4885CPS1 4037/4885

“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.