SCHEMBL3721733

SCHEMBL3721733

N[C@H](c1ccc(Br)cc1)C1CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
OPRL1 P41146 1/20 0.41
HTR2A P28223 1/20 0.38
CYP2A6 P11509 1/20 0.36
DPP4 P27487 1/20 0.36
KDM1A O60341 5/20 0.35
KCNH2 Q12809 2/20 0.35
MAOB P27338 2/20 0.35
RCOR1 Q9UKL0 2/20 0.35
KDM1B Q8NB78 1/20 0.35
POLB P06746 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD11B1 P28845 2/20 0.34
RPS6KB1 P23443 1/20 0.33

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
SCHEMBL987778 1.00 OPRM1 (0.41) OPRM1OPRD1OPRK1OPRL1HTR2A
SCHEMBL3972540 0.79 MEN1 (0.38) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL13885596 0.77 ACACB (0.37) OPRM1OPRD1OPRK1OPRL1HTR2A
SCHEMBL16232135 0.77 OPRM1 (0.47) OPRM1OPRD1OPRK1OPRL1MAOB
SCHEMBL390679 0.77 ADRB2 (0.48) OPRM1OPRD1OPRK1OPRL1CYP2A6
SCHEMBL1821736 0.77 ESR1 (0.41) OPRM1ALDH1A1ALOX15
SCHEMBL1239995 0.77 RPS6KB1 (0.48) OPRM1OPRD1OPRK1OPRL1HTR2A
SCHEMBL2675532 0.77 RPS6KB1 (0.48) OPRM1OPRD1OPRK1OPRL1HTR2A
SCHEMBL16232134 0.77 OPRM1 (0.47) OPRM1OPRD1OPRK1OPRL1MAOB
SCHEMBL31091021 0.77 ADRB2 (0.48) OPRM1OPRD1OPRK1OPRL1CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2585444-B1 AZASPIROHEXANONES AS INHIBITORS OF 11-BETA-HSD1 FOR THE TREATMENT OF METABOLIC DISORDERS BOEHRINGER INGELHEIM INT (DE) 2014-10-22 EP disclosed
US-8765744-B2 Azaspirohexanones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-01 US disclosed
EP-2438049-B1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 BOEHRINGER INGELHEIM INT (DE) 2014-05-14 EP disclosed
US-8703765-B2 Cyclic inhibitors of 11β-hydroxysteroid dehydrogenase 1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-04-22 US disclosed
EP-2585444-A1 AZASPIROHEXANONES AS INHIBITORS OF 11-BETA-HSD1 FOR THE TREATMENT OF METABOLIC DISORDERS Boehringer Ingelheim International GmbH (DE) 2013-05-01 EP disclosed
US-20120190675-A1 Azaspirohexanones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-07-26 US disclosed
US-20120172357-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-07-05 US disclosed
WO-2011161128-A1 AZASPIROHEXANONES AS INHIBITORS OF 11-BETA-HSD1 FOR THE TREATMENT OF METABOLIC DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-29 WO disclosed
WO-2010139673-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-09 WO 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 (2 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-20120190675-A1 Azaspirohexanones HSD11B1, HSD3B1, HSD17B1 OPRM1 2776/4885OPRD1 582/4885OPRK1 1226/4885
US-20120172357-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD11B2, HSD3B1 OPRM1 4086/4885OPRD1 1626/4885OPRK1 2847/4885

“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.