SCHEMBL3751658

SCHEMBL3751658

CCS(=O)(=O)NC(c1cncc(-c2cccc(Cl)c2Cl)c1)C1CC1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 6/20 0.51
CTSA P10619 2/20 0.38
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
CNR2 P34972 6/20 0.35
P2RX7 Q99572 1/20 0.35
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA7 P36544 1/20 0.34
PTPN11 Q06124 1/20 0.33
CTPS1 P17812 1/20 0.32

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
SCHEMBL752541 0.92 CYP11B2 (0.49) CYP11B2CTSACHRNB4CHRNA3CHRNA7
SCHEMBL750312 0.84 CYP11B2 (0.48) CYP11B2CTSACHRNB4CHRNA3
SCHEMBL30385599 0.83 CYP11B2 (0.47) CYP11B2CHRNB4CHRNA3CHRNA7
SCHEMBL3708396 0.83 CYP11B2 (0.47) CYP11B2CHRNB4CHRNA3CHRNA7
SCHEMBL3744819 0.82 CYP11B2 (0.48) CYP11B2CTSAGRIN2BCHRNB4CHRNA3
SCHEMBL745723 0.81 CYP11B2 (0.53) CYP11B2CHRNB4CHRNA3CTPS1
SCHEMBL28410297 0.81 CYP11B2 (0.55) CYP11B2CHRNB4CHRNA3
SCHEMBL745945 0.80 CYP11B2 (0.54) CYP11B2CTPS1
SCHEMBL3749706 0.79 CYP11B2 (0.49) CYP11B2GRIN1GRIN2BCNR2CHRNB4
SCHEMBL3750759 0.79 CYP11B2 (0.53) CYP11B2GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2429995-B1 ARYL PYRIDINE AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2014-01-22 EP claimed
US-8383827-B2 Aryl pyridine as aldosterone synthase inhibitors NOVARTIS AG (CH) 2013-02-26 US claimed
US-20100292225-A1 ARYL PYRIDINE AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2010-11-18 US claimed
US-8809545-B2 Aryl pyridine as aldosterone synthase inhibitors NOVARTIS AG (CH) 2014-08-19 US disclosed
US-8809545-B2 Aryl pyridine as aldosterone synthase inhibitors NOVARTIS AG (CH) 2014-08-19 US disclosed
EP-2429995-B1 ARYL PYRIDINE AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2014-01-22 EP disclosed
US-20130296309-A1 ARYL PYRIDINE AS ALDOSTERONE SYNTHASE INHIBITORS CHAMOIN SYLVIE (FR) 2013-11-07 US disclosed
US-20130296309-A1 ARYL PYRIDINE AS ALDOSTERONE SYNTHASE INHIBITORS CHAMOIN SYLVIE (FR) 2013-11-07 US disclosed
US-8519142-B2 Aryl pyridine as aldosterone synthase inhibitors NOVARTIS AG (CH) 2013-08-27 US disclosed
US-8519142-B2 Aryl pyridine as aldosterone synthase inhibitors NOVARTIS AG (CH) 2013-08-27 US disclosed
US-8519142-B2 Aryl pyridine as aldosterone synthase inhibitors NOVARTIS AG (CH) 2013-08-27 US disclosed
US-8383827-B2 Aryl pyridine as aldosterone synthase inhibitors NOVARTIS AG (CH) 2013-02-26 US disclosed
US-8383827-B2 Aryl pyridine as aldosterone synthase inhibitors NOVARTIS AG (CH) 2013-02-26 US disclosed
US-20130035354-A1 ARYL PYRIDINE AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2013-02-07 US disclosed
US-20130035354-A1 ARYL PYRIDINE AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2013-02-07 US disclosed
US-20100292225-A1 ARYL PYRIDINE AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2010-11-18 US disclosed
US-20100292225-A1 ARYL PYRIDINE AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2010-11-18 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 (3 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-20130035354-A1 ARYL PYRIDINE AS ALDOSTERONE SYNTHASE INHIBITORS CYP21A2, CYP11B1, CYP17A1 CYP11B2 4/4885CTSA 4607/4885GRIN1 3131/4885
US-20130296309-A1 ARYL PYRIDINE AS ALDOSTERONE SYNTHASE INHIBITORS CYP21A2, CYP11B1, CYP17A1 CYP11B2 4/4885CTSA 4607/4885GRIN1 3131/4885
US-20100292225-A1 ARYL PYRIDINE AS ALDOSTERONE SYNTHASE INHIBITORS CYP21A2, CYP11B1, CYP17A1 CYP11B2 4/4885CTSA 4607/4885GRIN1 3131/4885

“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.