SCHEMBL3065644

SCHEMBL3065644

O=C(c1cccnc1)N1CCC(c2c[nH]c3ncccc23)C1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 10/20 0.68
OPRL1 P41146 3/20 0.52
OPRM1 P35372 2/20 0.52
OPRK1 P41145 2/20 0.52
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
CHRNB2 P17787 1/20 0.47
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA7 P36544 1/20 0.47
CHRNA4 P43681 1/20 0.47
HPGDS O60760 1/20 0.47
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HTT P42858 1/20 0.46
CCR2 P41597 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
SCHEMBL13090625 0.91 HSD11B1 (0.74) HSD11B1OPRL1OPRM1OPRK1CYP2D6
SCHEMBL3060919 0.84 HSD11B1 (0.67) HSD11B1OPRL1OPRM1OPRK1CYP2D6
SCHEMBL13845863 0.83 HSD11B1 (0.69) HSD11B1OPRL1OPRM1OPRK1CYP2D6
SCHEMBL13090626 0.83 HSD11B1 (0.72) HSD11B1OPRL1OPRM1OPRK1ALDH1A1
SCHEMBL3066058 0.83 HSD11B1 (0.65) HSD11B1OPRL1OPRM1OPRK1CCR2
SCHEMBL3061253 0.81 HSD11B1 (0.78) HSD11B1OPRL1OPRM1OPRK1CCR2
SCHEMBL3073264 0.81 HSD11B1 (1.00) HSD11B1OPRL1OPRM1OPRK1CYP2D6
SCHEMBL6158491 0.79 HSD11B1 (0.66) HSD11B1OPRL1OPRM1OPRK1CYP2D6
SCHEMBL14280711 0.79 OPRL1 (0.64) HSD11B1OPRL1OPRM1OPRK1CCR2
SCHEMBL27748195 0.79 HSD11B1 (0.66) HSD11B1OPRL1OPRM1OPRK1CCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101848910-B 7-azaindole derivatives as selective 11-beta-hydroxysteroid dehydrogenase type 1 inhibitors MERCK PATENT GMBH 2013-12-04 CN claimed
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
EP-2247589-A1 7-AZAINDOLE DERIVATIVES AS SELECTIVE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS Merck Patent GmbH (DE) 2010-11-10 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
WO-2009059666-A1 7-AZAINDOLE DERIVATIVES AS SELECTIVE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS MERCK PATENT GMBH (DE) 2009-05-14 WO claimed
CN-101848910-B 7-azaindole derivatives as selective 11-beta-hydroxysteroid dehydrogenase type 1 inhibitors MERCK PATENT GMBH 2013-12-04 CN disclosed
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 1/4885OPRL1 2265/4885OPRM1 1541/4885

“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.