SCHEMBL3050271

SCHEMBL3050271

COc1ccc(C(=O)N2CCC(c3c[nH]c4ncccc34)C2)c(C)c1

nearest known ligand 0.75

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 12/20 0.75
GAA P10253 2/20 0.54
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.53
PROKR1 Q8TCW9 2/20 0.48
PDE2A O00408 1/20 0.47
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47
OPRM1 P35372 1/20 0.47
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46

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
SCHEMBL3073264 0.86 HSD11B1 (1.00) HSD11B1GAAOPRM1
SCHEMBL19248198 0.85 HSD11B1 (1.00) HSD11B1ALDH1A1PROKR1MTNR1AMTNR1B
SCHEMBL13090626 0.78 HSD11B1 (0.72) HSD11B1ALDH1A1OPRM1MTNR1AMTNR1B
SCHEMBL3061253 0.78 HSD11B1 (0.78) HSD11B1OPRM1
SCHEMBL13090625 0.78 HSD11B1 (0.74) HSD11B1OPRM1
SCHEMBL3060919 0.77 HSD11B1 (0.67) HSD11B1PROKR1OPRM1
SCHEMBL13845863 0.76 HSD11B1 (0.69) HSD11B1OPRM1
SCHEMBL3065644 0.76 HSD11B1 (0.68) HSD11B1ALDH1A1OPRM1
SCHEMBL12509445 0.75 HSD11B1 (0.69) HSD11B1OPRM1
SCHEMBL16801704 0.74 KDM4E (0.65) HSD11B1ALDH1A1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8470849-B2 7-azaindole derivatives as selective 11-β-hydroxysteroid dehydrogenase type 1 inhibitors MERCK PATENT GMBH (DE) 2013-06-25 US claimed
EP-2247589-B1 7-AZAINDOLE DERIVATIVES AS SELECTIVE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS MERCK PATENT GMBH (DE) 2012-11-21 EP claimed
US-20100267761-A1 7-Azaindole Derivatives as Selective 11-Beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitors MERCK PATENT GESELLSCHAFT 2010-10-21 US claimed
US-8470849-B2 7-azaindole derivatives as selective 11-β-hydroxysteroid dehydrogenase type 1 inhibitors MERCK PATENT GMBH (DE) 2013-06-25 US disclosed
EP-2247589-B1 7-AZAINDOLE DERIVATIVES AS SELECTIVE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS MERCK PATENT GMBH (DE) 2012-11-21 EP disclosed
US-20100267761-A1 7-Azaindole Derivatives as Selective 11-Beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitors MERCK PATENT GESELLSCHAFT 2010-10-21 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-20100267761-A1 7-Azaindole Derivatives as Selective 11-Beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitors HSD11B1, HSD17B1, HSD11B2 HSD11B1 1/4885GAA 728/4885ALDH1A1 119/4885

“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.