SCHEMBL16196626

SCHEMBL16196626

FC(F)(F)c1cncc(-c2cnc3c(c2)CCCN3)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 12/20 0.50
NNMT P40261 1/20 0.44
CYP11B1 P15538 3/20 0.43
ASIC3 Q9UHC3 1/20 0.42
PARP10 Q53GL7 1/20 0.41
PARP11 Q9NR21 1/20 0.41
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
PIK3C3 Q8NEB9 1/20 0.37
GRIN2B Q13224 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 1/20 0.36

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
SCHEMBL16196406 0.84 CYP11B2 (0.53) CYP11B2NNMTCYP11B1ASIC3ALOX5AP
SCHEMBL4980574 0.84 NNMT (0.51) NNMTASIC3PARP10ALOX5APFEN1
SCHEMBL16196659 0.83 CYP11B2 (0.53) CYP11B2CYP11B1ASIC3PARP10PARP11
SCHEMBL16203257 0.83 CYP11B2 (0.53) CYP11B2CYP11B1ASIC3PARP10PARP11
SCHEMBL16196473 0.80 CYP11B2 (0.56) CYP11B2NNMTASIC3ALOX5APFEN1
SCHEMBL16196089 0.79 NNMT (0.47) CYP11B2NNMTCYP11B1ASIC3ALOX5AP
SCHEMBL20237379 0.76 CYP11B2 (0.55) CYP11B2NNMTCYP11B1ASIC3PIK3C3
SCHEMBL16196012 0.76 CYP11B2 (0.55) CYP11B2NNMTCYP11B1ASIC3PIK3C3
SCHEMBL16195850 0.75 CYP11B2 (0.54) CYP11B2NNMTASIC3ALOX5APFEN1
SCHEMBL11990238 0.75 NNMT (0.49) NNMTASIC3PARP10PARP11ALOX5AP

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 8 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
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
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 637/4885CYP11B1 1/4885

“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.