SCHEMBL4081527

SCHEMBL4081527

Cc1cc(Br)cc(C)c1CN=CC=O

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.33
HTR1B P28222 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
SCHEMBL10249641 0.74 HTR1D (0.37) HTR1DHTR1B
SCHEMBL118348 0.71 HTR1D (0.35) HTR1DHTR1B
SCHEMBL3125416 0.70 HTR1D (0.37) HTR1DHTR1B
SCHEMBL12305002 0.64 HTR1D (0.41) HTR1DHTR1B
SCHEMBL21749452 0.64 HTR1D (0.41) HTR1DHTR1B
SCHEMBL7969500 0.62 HTR1D (0.40) HTR1DHTR1B
SCHEMBL7983095 0.62 HTR1D (0.40) HTR1DHTR1B
SCHEMBL117603 0.62 HTR1D (0.40) HTR1DHTR1B
SCHEMBL1661825 0.62 ERN1 (0.37)
SCHEMBL24269721 0.60 SETDB1 (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680093-B2 Cyclic inhibitors of 11beta-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2014-03-25 US disclosed
US-8629138-B2 2014-01-14 US disclosed
US-8575157-B2 2013-11-05 US disclosed
US-20130096108-A1 Cyclic Inhibitors of 11Beta-Hydroxysteroid Dehydrogenase 1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2013-04-18 US disclosed
US-20120184549-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2012-07-19 US disclosed
US-20120108579-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-20100331320-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. 2010-12-30 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 (4 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-20130096108-A1 Cyclic Inhibitors of 11Beta-Hydroxysteroid Dehydrogenase 1 HSD11B1, HSD11B2, HSD17B1 HTR1D 402/4885HTR1B 567/4885
US-20120108579-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD11B2, HSD3B1 HTR1D 1096/4885HTR1B 1347/4885
US-20120184549-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD11B2, HSD3B1 HTR1D 931/4885HTR1B 1166/4885
US-20100331320-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD11B2, HSD3B1 HTR1D 931/4885HTR1B 1166/4885

“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.