SCHEMBL3050281

SCHEMBL3050281

CC(C)(Oc1ccccc1)C(=O)N1CCC(c2c[nH]c3ncccc23)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 11/20 1.00
OPRM1 P35372 3/20 0.51
OPRL1 P41146 3/20 0.47
OPRK1 P41145 2/20 0.47
BCL9 O00512 1/20 0.44
CTNNB1 P35222 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CCR2 P41597 2/20 0.42

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
SCHEMBL3070980 0.87 HSD11B1 (0.77) HSD11B1OPRM1OPRL1OPRK1KDM4E
SCHEMBL3055381 0.85 HSD11B1 (1.00) HSD11B1OPRM1OPRL1OPRK1KDM4E
SCHEMBL12509445 0.81 HSD11B1 (0.69) HSD11B1OPRM1OPRL1OPRK1
SCHEMBL13090626 0.81 HSD11B1 (0.72) HSD11B1OPRM1OPRL1OPRK1KDM4E
SCHEMBL13090625 0.80 HSD11B1 (0.74) HSD11B1OPRM1OPRL1OPRK1CCR2
SCHEMBL3060960 0.79 HSD11B1 (1.00) HSD11B1OPRM1OPRL1OPRK1CCR2
SCHEMBL13845863 0.78 HSD11B1 (0.69) HSD11B1OPRM1OPRL1OPRK1CCR2
SCHEMBL6158491 0.77 HSD11B1 (0.66) HSD11B1OPRM1OPRL1OPRK1CCR2
SCHEMBL2267177 0.77 HSD11B1 (0.63) HSD11B1OPRM1OPRL1OPRK1
SCHEMBL3064072 0.77 HSD11B1 (0.65) HSD11B1OPRM1OPRL1OPRK1ALDH1A1

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 1/4885OPRM1 1541/4885OPRL1 2265/4885

“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.