SCHEMBL1037643

SCHEMBL1037643

COc1ccc(CN(C)C(=O)C2(c3ccc(C#N)cc3Cl)CCc3cncn32)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 9/20 0.73
CYP19A1 P11511 2/20 0.66
USP2 O75604 3/20 0.38
TSHR P16473 3/20 0.38
CYP2C9 P11712 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 3/20 0.37
CYP2D6 P10635 1/20 0.37
HSP90AA1 P07900 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 2/20 0.35
GSK3B P49841 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
CYP11B1 P15538 1/20 0.34
TACR3 P29371 1/20 0.34
CCR5 P51681 1/20 0.34
SNCA P37840 1/20 0.34

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
SCHEMBL29884989 1.00 CYP11B2 (0.73) CYP11B2CYP19A1USP2TSHRCYP2C9
SCHEMBL1040095 0.91 CYP11B2 (0.87) CYP11B2CYP19A1USP2TSHRCYP2C9
SCHEMBL1076732 0.90 CYP11B2 (0.80) CYP11B2CYP19A1CYP11B1TACR3
SCHEMBL1040118 0.85 CYP11B2 (0.70) CYP11B2CYP19A1CYP11B1
SCHEMBL13563947 0.85 CYP11B2 (0.87) CYP11B2CYP19A1CYP11B1
SCHEMBL1040020 0.84 CYP11B2 (1.00) CYP11B2CYP19A1CYP11B1TACR3
SCHEMBL1036330 0.84 CYP11B2 (0.75) CYP11B2CYP19A1CYP11B1
SCHEMBL1040314 0.83 CYP11B2 (0.67) CYP11B2CYP19A1CYP11B1
SCHEMBL1036640 0.83 CYP11B2 (0.78) CYP11B2CYP19A1USP2MEN1KMT2A
SCHEMBL1041248 0.82 CYP11B2 (0.63) CYP11B2CYP19A1ALDH1A1CYP11B1

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3527208-A1 USE OF AN ADRENAL HORMONE-MODIFYING AGENT Novartis AG (CH) 2019-08-21 EP disclosed
EP-2523731-B1 USE OF AN ADRENAL HORMONE-MODIFYING AGENT NOVARTIS AG (CH) 2018-10-24 EP disclosed
US-9434754-B2 Use of an adrenal hormone-modifying agent NOVARTIS AG (CH) 2016-09-06 US disclosed
US-9278969-B2 Organic compounds NOVARTIS AG (CH) 2016-03-08 US disclosed
US-9278969-B2 Organic compounds NOVARTIS AG (CH) 2016-03-08 US disclosed
US-20140357621-A1 Organic Compounds NOVARTIS AG (CH) 2014-12-04 US disclosed
US-20140357621-A1 Organic Compounds NOVARTIS AG (CH) 2014-12-04 US disclosed
EP-2256118-B1 Condensed imidazolo derivatives for the inhibition of aromatase and the treatment of aldosterone related diseases NOVARTIS AG (CH) 2014-10-29 EP disclosed
US-8835646-B2 Organic compounds NOVARTIS AG (CH) 2014-09-16 US disclosed
US-8835646-B2 Organic compounds NOVARTIS AG (CH) 2014-09-16 US disclosed
US-20120277215-A1 Organic Compounds RECORDATI AG (CH) 2012-11-01 US disclosed
CN-102711916-A Use of adrenal hormone modulators NOVARTIS AG 2012-10-03 CN disclosed
WO-2011088188-A1 USE OF AN ADRENAL HORMONE-MODIFYING AGENT NOVARTIS AG (CH) 2011-07-21 WO disclosed
US-20110124695-A1 Substituted carbamoylmethylamino acetic acid derivatives as novel NEP inhibitors NOVARTIS AG (CH) 2011-05-26 US disclosed
WO-2011061271-A1 SUBSTITUTED CARBAMOYLMETHYLAMINO ACETIC ACID DERIVATIVES AS NOVEL NEP INHIBITORS NOVARTIS AG (CH) 2011-05-26 WO disclosed
EP-2270011-A1 Condensed imidazolo derivatives for the inhibition of aromatase Novartis AG (CH) 2011-01-05 EP disclosed
EP-2270011-A1 Condensed imidazolo derivatives for the inhibition of aromatase Novartis AG (CH) 2011-01-05 EP disclosed
EP-2256118-A1 Condensed imidazolo derivatives for the inhibition of aromatase Novartis AG (CH) 2010-12-01 EP disclosed
US-20070049616-A1 Organic compounds RECORDATI AG (CH) 2007-03-01 US disclosed
US-20070049616-A1 Organic compounds RECORDATI AG (CH) 2007-03-01 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 (4 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-20070049616-A1 Organic compounds CYP19A1, CYP17A1, HSD17B11 CYP11B2 14/4885CYP19A1 1/4885USP2 3271/4885
US-20120277215-A1 Organic Compounds CYP19A1, CYP17A1, HSD17B11 CYP11B2 14/4885CYP19A1 1/4885USP2 3271/4885
US-20140357621-A1 Organic Compounds CYP19A1, CYP17A1, HSD17B11 CYP11B2 14/4885CYP19A1 1/4885USP2 3271/4885
US-20110124695-A1 Substituted carbamoylmethylamino acetic acid derivatives as novel NEP inhibitors MME, REN, AGTR1 CYP11B2 2293/4885CYP19A1 1650/4885USP2 1484/4885

“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.