SCHEMBL16196153

SCHEMBL16196153

NC(=O)C1(c2cncc(Br)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.45
POLB P06746 3/20 0.42
HCAR2 Q8TDS4 1/20 0.42
KDM4E B2RXH2 1/20 0.41
RIPK2 O43353 1/20 0.38
HTT P42858 5/20 0.37
ALOX15 P16050 1/20 0.37
SMYD3 Q9H7B4 1/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 2/20 0.35
ITGA4 P13612 1/20 0.35
ITGB7 P26010 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
HPGD P15428 1/20 0.34
ROCK2 O75116 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
ALOX12 P18054 1/20 0.33
ROCK1 Q13464 1/20 0.33
MAPT P10636 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
SCHEMBL23164255 0.89 ALOX5 (0.39) CYP11B2POLBHCAR2KDM4EHPGD
SCHEMBL29705674 0.89 ALOX5 (0.39) CYP11B2POLBHCAR2KDM4EHPGD
SCHEMBL13048695 0.84 POLB (0.47) POLBHCAR2KDM4EHTTALOX15
SCHEMBL31115373 0.83 POLB (0.37) CYP11B2POLBHCAR2KDM4ERIPK2
SCHEMBL23972281 0.83 POLB (0.34) CYP11B2POLBHCAR2KDM4EHTT
Potassium Ion SCHEMBL749359 0.81 POLB (0.41) CYP11B2POLBHCAR2KDM4EHTT
SCHEMBL3756617 0.79 ITGA4 (0.41) POLBHCAR2KDM4EHTTRAB9A
SCHEMBL16751921 0.78 POLB (0.44) POLBHCAR2KDM4EHTTALOX15
SCHEMBL1492674 0.78 AKR1C1 (0.49) POLBHCAR2KDM4EHTTALOX15
SCHEMBL22004708 0.77 POLB (0.35) POLBHCAR2KDM4EHTTALOX15

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-2991985-B1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2018-06-13 EP disclosed
EP-2991985-B1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2018-06-13 EP disclosed
EP-2991985-A1 ALDOSTERONE SYNTHASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2016-03-09 EP disclosed
US-9181272-B2 Aldosterone synthase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-11-10 US disclosed
US-9181272-B2 Aldosterone synthase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-11-10 US disclosed
US-9181272-B2 Aldosterone synthase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-11-10 US disclosed
WO-2014179186-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-06 WO disclosed
WO-2014179186-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-06 WO disclosed
US-20140323468-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-30 US disclosed
US-20140323468-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-30 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 (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-20140323468-A1 ALDOSTERONE SYNTHASE INHIBITORS CYP11B1, CYP21A2, REN CYP11B2 4/4885POLB 2408/4885HCAR2 1452/4885

“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.