SCHEMBL7948350

SCHEMBL7948350

CCS(=O)(=O)Nc1cncc(-c2c(COC)c3ccc(Cl)cc3n2C)c1

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 5/20 0.69
CYP11B1 P15538 2/20 0.50
CYP19A1 P11511 1/20 0.50
ALPL P05186 13/20 0.40
MAOA P21397 1/20 0.37
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
BRD4 O60885 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
SCHEMBL7949460 0.85 CYP11B2 (0.78) CYP11B2CYP11B1CYP19A1ALPLMAOA
SCHEMBL1606229 0.82 CYP11B2 (1.00) CYP11B2CYP11B1CYP19A1ALPLMAOA
SCHEMBL1606822 0.77 CYP11B2 (0.72) CYP11B2CYP11B1CYP19A1ROCK2ROCK1
SCHEMBL19417473 0.76 CYP11B2 (0.55) CYP11B2CYP11B1CYP19A1ALPLROCK2
SCHEMBL19417599 0.76 CYP11B2 (0.54) CYP11B2CYP11B1CYP19A1ALPLMAOA
SCHEMBL7950505 0.75 CYP11B2 (0.61) CYP11B2CYP11B1CYP19A1ALPLROCK2
SCHEMBL7946991 0.71 CYP11B2 (0.77) CYP11B2CYP11B1CYP19A1ROCK2ROCK1
SCHEMBL1605339 0.71 CYP11B2 (0.80) CYP11B2CYP11B1CYP19A1MAOAROCK2
SCHEMBL1605141 0.69 CYP11B2 (0.71) CYP11B2CYP11B1CYP19A1ROCK2ROCK1
SCHEMBL1606929 0.69 CYP11B2 (0.78) CYP11B2CYP11B1CYP19A1ALPLMAOA

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
US-9242963-B2 Organic compounds NOVARTIS AG (CH) 2016-01-26 US disclosed
US-20150210672-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2015-07-30 US disclosed
US-20140288126-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2014-09-25 US disclosed
US-8791141-B2 Organic compounds NOVARTIS AG (CH) 2014-07-29 US disclosed
US-8030334-B2 Organic compounds NOVARTIS AG (CH) 2011-10-04 US disclosed
US-8030334-B2 Organic compounds NOVARTIS AG (CH) 2011-10-04 US disclosed
US-20110082129-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-04-07 US disclosed
US-20100261698-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-10-14 US disclosed
US-20100261698-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-10-14 US disclosed
WO-2009156462-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-30 WO 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-20110082129-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP11B2 13/4885CYP11B1 14/4885CYP19A1 68/4885
US-20100261698-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP11B2 13/4885CYP11B1 14/4885CYP19A1 68/4885
US-20150210672-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP11B2 12/4885CYP11B1 15/4885CYP19A1 55/4885
US-20140288126-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP11B2 12/4885CYP11B1 15/4885CYP19A1 55/4885

“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.