SCHEMBL10249484

SCHEMBL10249484

Cc1cc(Br)ccc1[C@H](C)N=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
APLNR P35414 2/20 0.33
SIGMAR1 Q99720 2/20 0.33
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
LMNA P02545 1/20 0.31
FLT1 P17948 1/20 0.31
FLT4 P35916 1/20 0.31
KDR P35968 1/20 0.31
MAPT P10636 2/20 0.31
ALOX15 P16050 1/20 0.31
ALOX12 P18054 1/20 0.31
HBB P68871 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GPR55 Q9Y2T6 1/20 0.31
FABP4 P15090 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL116745 0.80 CA1 (0.34) CA1CA2APLNRSIGMAR1
SCHEMBL116744 0.80 CA1 (0.34) CA1CA2APLNRSIGMAR1
SCHEMBL4072449 0.78 CA1 (0.33) CA1CA2
SCHEMBL5301444 0.77 GABRA1 (0.43) CA1CA2LMNAMAPTGPR55
SCHEMBL27692683 0.75 CA1 (0.37) CA1CA2APLNRSIGMAR1MEN1
SCHEMBL24645032 0.74 CA1 (0.36) CA1CA2APLNRSIGMAR1FLT1
SCHEMBL1854753 0.74 CA1 (0.36) CA1CA2APLNRSIGMAR1MEN1
SCHEMBL1854756 0.74 CA1 (0.36) CA1CA2APLNRSIGMAR1MEN1
SCHEMBL16793738 0.74 LMNA (0.41) CA1CA2APLNRSIGMAR1MEN1
SCHEMBL12248175 0.74 CA1 (0.36) CA1CA2SIGMAR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424865-B1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 BOEHRINGER INGELHEIM INT (DE) 2017-01-18 EP disclosed
EP-2687525-B1 CYCLIC INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 BOEHRINGER INGELHEIM INT (DE) 2015-09-23 EP disclosed
US-8680093-B2 Cyclic inhibitors of 11beta-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2014-03-25 US disclosed
EP-2687525-A1 Cyclic inhibitors of 11beta-hydroxysteroid dehydrogenase 1 Boehringer Ingelheim International GmbH (DE) 2014-01-22 EP disclosed
US-8629138-B2 2014-01-14 US disclosed
US-8575157-B2 2013-11-05 US disclosed
EP-2324018-B1 CYCLIC INHIBITORS OF 11 BETA-HYDROXYSTEROID DEHYDROGENASE 1 BOEHRINGER INGELHEIM INT (DE) 2013-09-04 EP disclosed
US-8114868-B2 Cyclic inhibitors of 11β-hydroxysteroid dehydrogenase 1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2012-02-14 US disclosed
US-8114868-B2 Cyclic inhibitors of 11β-hydroxysteroid dehydrogenase 1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2012-02-14 US disclosed
US-20110009402-A1 Cyclic Inhibitors of 11Beta-Hydroxysteroid Dehydrogenase 1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2011-01-13 US disclosed
US-20110009402-A1 Cyclic Inhibitors of 11Beta-Hydroxysteroid Dehydrogenase 1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2011-01-13 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-20110009402-A1 Cyclic Inhibitors of 11Beta-Hydroxysteroid Dehydrogenase 1 HSD11B1, HSD11B2, HSD3B1 CA1 1069/4885CA2 608/4885APLNR 4857/4885

“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.