SCHEMBL3620712

SCHEMBL3620712

O=C(CC1(Cc2nc(-c3ccccn3)no2)CCCC1)NC1C2CC3CC(C2)CC1C3

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 13/20 0.64
S1PR1 P21453 1/20 0.44
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
TSHR P16473 1/20 0.41
BMP1 P13497 1/20 0.41
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL3623713 0.82 HSD11B1 (0.54) HSD11B1MAPTHPGDTSHRALDH1A1
SCHEMBL3621843 0.81 NPSR1 (0.48) HSD11B1S1PR1HPGDSMN1; SMN2TSHR
SCHEMBL3619639 0.80 HSD11B1 (0.62) HSD11B1ALDH1A1
SCHEMBL3616180 0.78 HSD11B1 (1.00) HSD11B1NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL3618676 0.77 HSD11B1 (0.59) HSD11B1MAPTHPGD
SCHEMBL3621587 0.76 HSD11B1 (0.61) HSD11B1
SCHEMBL3607807 0.73 HSD11B1 (1.00) HSD11B1HPGDALDH1A1
SCHEMBL14159668 0.70 HSD11B1 (0.79) HSD11B1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL3653957 0.65 HSD11B1 (1.00) HSD11B1
SCHEMBL3616507 0.65 HSD11B1 (0.60) HSD11B1ALDH1A1

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
EP-2094263-B1 2-ADAMANTYL-BUTYRAMIDE DERIVATIVES AS SELECTIVE 11 BETA-HSD1 INHIBITORS MERCK PATENT GMBH (DE) 2013-10-16 EP claimed
US-8183265-B2 2-adamantyl-butyramide derivatives as selective 11β-HSD1 inhibitors MERCK PATENT GMBH (DE) 2012-05-22 US claimed
US-20100022597-A1 2-ADAMANTYL-BUTYRAMIDE DERIVATIVES AS SELECTIVE 11BETA-HSD1 INHIBITORS MERCK PATENT GESELLSCHAFT (DE) 2010-01-28 US claimed
EP-1935420-A1 2-Adamantyl-butyramide derivatives as selective 11beta-HSD1 inhibitors Merck Sante (FR) 2008-06-25 EP claimed
EP-2094263-B1 2-ADAMANTYL-BUTYRAMIDE DERIVATIVES AS SELECTIVE 11 BETA-HSD1 INHIBITORS MERCK PATENT GMBH (DE) 2013-10-16 EP disclosed
US-8183265-B2 2-adamantyl-butyramide derivatives as selective 11β-HSD1 inhibitors MERCK PATENT GMBH (DE) 2012-05-22 US disclosed
US-20100022597-A1 2-ADAMANTYL-BUTYRAMIDE DERIVATIVES AS SELECTIVE 11BETA-HSD1 INHIBITORS MERCK PATENT GESELLSCHAFT (DE) 2010-01-28 US disclosed
EP-2094263-A1 2-ADAMANTYL-BUTYRAMIDE DERIVATIVES AS SELECTIVE 11 BETA-HSD1 INHIBITORS Merck Patent GmbH (DE) 2009-09-02 EP disclosed
WO-2008074384-A1 2-ADAMANTYL-BUTYRAMIDE DERIVATIVES AS SELECTIVE 11βETA-HSD1 INHIBITORS MERCK PATENT GMBH (DE) 2008-06-26 WO disclosed
EP-1935420-A1 2-Adamantyl-butyramide derivatives as selective 11beta-HSD1 inhibitors Merck Sante (FR) 2008-06-25 EP 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-20100022597-A1 2-ADAMANTYL-BUTYRAMIDE DERIVATIVES AS SELECTIVE 11BETA-HSD1 INHIBITORS HSD11B1, HSD11B2, CYP11B1 HSD11B1 1/4885S1PR1 3038/4885NPC1 977/4885

“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.