SCHEMBL16196012

SCHEMBL16196012

c1cncc(-c2cnc3c(c2)CCCN3)c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 13/20 0.55
CYP11B1 P15538 8/20 0.55
ASIC3 Q9UHC3 1/20 0.48
NNMT P40261 1/20 0.47
CYP2A6 P11509 2/20 0.44
CYP1A2 P05177 6/20 0.44
CYP3A4 P08684 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP2C9 P11712 2/20 0.44
TBXAS1 P24557 1/20 0.44
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
CYP2C19 P33261 1/20 0.43
CYP19A1 P11511 1/20 0.42
NPY5R Q15761 1/20 0.42
PIK3C3 Q8NEB9 1/20 0.41

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
SCHEMBL20237379 1.00 CYP11B2 (0.55) CYP11B2CYP11B1ASIC3NNMTCYP2A6
SCHEMBL8385317 0.91 ASIC3 (0.57) CYP11B2CYP11B1ASIC3NNMTCYP2A6
SCHEMBL16196089 0.79 NNMT (0.47) CYP11B2CYP11B1ASIC3NNMTCYP2A6
SCHEMBL16195873 0.78 CYP11B2 (0.48) CYP11B2CYP11B1ASIC3NNMTALDH1A1
SCHEMBL1257921 0.78 ASIC3 (0.52) CYP11B2ASIC3NNMTALDH1A1PIK3C3
SCHEMBL8385558 0.76 ASIC3 (0.61) ASIC3NNMTPIK3C3
SCHEMBL16203253 0.76 NNMT (0.44) CYP11B2ASIC3NNMTPIK3C3
SCHEMBL15730767 0.76 FEN1 (0.45) ASIC3NNMTPIK3C3
SCHEMBL16195363 0.76 CYP11B2 (0.52) CYP11B2CYP11B1ASIC3NNMTPIK3C3
SCHEMBL16196626 0.76 CYP11B2 (0.50) CYP11B2CYP11B1ASIC3NNMTPIK3C3

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 4/4885CYP11B1 1/4885ASIC3 2792/4885

“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.