SCHEMBL16196332

SCHEMBL16196332

CC(=O)c1cncc(-c2cnc3c(c2)CCCN3)c1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 14/20 0.55
NNMT P40261 2/20 0.54
PIK3C3 Q8NEB9 1/20 0.48
CYP11B1 P15538 4/20 0.46
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
ASIC3 Q9UHC3 1/20 0.40
XDH P47989 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 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
SCHEMBL16213324 1.00 CYP11B2 (0.55) CYP11B2NNMTPIK3C3CYP11B1MKNK1
SCHEMBL16196125 0.86 CYP11B2 (0.57) CYP11B2NNMTPIK3C3CYP11B1ASIC3
SCHEMBL16196188 0.81 CYP11B2 (0.57) CYP11B2NNMTPIK3C3ASIC3
SCHEMBL16196406 0.77 CYP11B2 (0.53) CYP11B2NNMTPIK3C3CYP11B1ASIC3
SCHEMBL16196089 0.77 NNMT (0.47) CYP11B2NNMTPIK3C3CYP11B1ASIC3
SCHEMBL16196646 0.75 CYP11B2 (0.54) CYP11B2NNMTPIK3C3CYP11B1ASIC3
SCHEMBL16196012 0.74 CYP11B2 (0.55) CYP11B2NNMTPIK3C3CYP11B1ASIC3
SCHEMBL20237379 0.74 CYP11B2 (0.55) CYP11B2NNMTPIK3C3CYP11B1ASIC3
SCHEMBL16196626 0.74 CYP11B2 (0.50) CYP11B2NNMTPIK3C3CYP11B1ASIC3
SCHEMBL20245397 0.73 CYP11B2 (0.73) CYP11B2CYP11B1

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 4/4885NNMT 637/4885PIK3C3 4122/4885

“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.