SCHEMBL1606247

SCHEMBL1606247

Cn1c(-c2cncc(CN3CCC(NC(=O)OC(C)(C)C)CC3)c2)c(C#N)c2ccc(Cl)cc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 3/20 0.53
CYP11B1 P15538 2/20 0.53
CYP19A1 P11511 1/20 0.53
MAOA P21397 1/20 0.46
NSD2 O96028 1/20 0.46
KCNA3 P22001 1/20 0.42
MAPK8 P45983 2/20 0.42
USP14 P54578 1/20 0.40
MCHR1 Q99705 2/20 0.40
AAK1 Q2M2I8 2/20 0.39
RET P07949 1/20 0.39
AKT1 P31749 1/20 0.39
DRD2 P14416 1/20 0.38
PRKAA2 P54646 1/20 0.38
WNT1 P04628 1/20 0.38
DYRK1A Q13627 1/20 0.38
PARP1 P09874 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37

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
SCHEMBL1605186 0.96 CYP11B2 (0.52) CYP11B2CYP11B1CYP19A1MAOANSD2
SCHEMBL1605182 0.96 CYP11B2 (0.52) CYP11B2CYP11B1CYP19A1MAOANSD2
SCHEMBL12212621 0.89 MAPK8 (0.43) CYP11B2CYP11B1CYP19A1NSD2KCNA3
SCHEMBL16128064 0.88 CYP11B2 (0.57) CYP11B2CYP11B1CYP19A1MAOANSD2
SCHEMBL19417479 0.85 CYP11B2 (0.59) CYP11B2CYP11B1CYP19A1MAOAMCHR1
SCHEMBL1606357 0.82 CYP11B2 (0.59) CYP11B2CYP11B1CYP19A1MAOANSD2
SCHEMBL1605729 0.81 CYP11B2 (0.56) CYP11B2CYP11B1CYP19A1MAOAMAPK8
SCHEMBL1605733 0.81 CYP11B2 (0.56) CYP11B2CYP11B1CYP19A1MAOAMAPK8
SCHEMBL1606436 0.81 CYP11B2 (0.56) CYP11B2CYP11B1CYP19A1MAOAMAPK8
SCHEMBL1605978 0.80 CYP11B2 (0.65) CYP11B2CYP11B1CYP19A1MAOARET

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-2307371-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2017-10-04 EP disclosed
EP-2307371-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2017-10-04 EP disclosed
US-9242963-B2 Organic compounds NOVARTIS AG (CH) 2016-01-26 US disclosed
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-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-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
EP-2307371-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2011-04-13 EP 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
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.