SCHEMBL1606213

SCHEMBL1606213

Cn1c(-c2cncc(CN3CCC(N)C3)c2)c(C#N)c2ccc(Cl)cc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 6/20 0.57
CYP11B1 P15538 2/20 0.57
CYP19A1 P11511 1/20 0.57
MAOA P21397 1/20 0.54
KDM1A O60341 4/20 0.39
DDR1 Q08345 1/20 0.37
MCHR1 Q99705 2/20 0.36
PRKACA P17612 3/20 0.36
PRKACG P22612 3/20 0.36
PRKACB P22694 3/20 0.36
NSD2 O96028 1/20 0.34
NSD3 Q9BZ95 1/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
RET P07949 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ALOX15 P16050 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL1606211 1.00 CYP11B2 (0.57) CYP11B2CYP11B1CYP19A1MAOAKDM1A
SCHEMBL1606357 0.95 CYP11B2 (0.59) CYP11B2CYP11B1CYP19A1MAOAMCHR1
SCHEMBL12212633 0.87 CYP11B2 (0.41) CYP11B2CYP11B1CYP19A1MAOAKDM1A
SCHEMBL19417479 0.86 CYP11B2 (0.59) CYP11B2CYP11B1CYP19A1MAOAMCHR1
SCHEMBL1605978 0.85 CYP11B2 (0.65) CYP11B2CYP11B1CYP19A1MAOARET
SCHEMBL28107219 0.84 CYP11B2 (0.67) CYP11B2CYP11B1CYP19A1MAOAMCHR1
SCHEMBL1606585 0.84 CYP11B2 (0.61) CYP11B2CYP11B1CYP19A1MAOAKDM4E
SCHEMBL12190200 0.82 CYP11B2 (0.61) CYP11B2CYP11B1CYP19A1MAOAMCHR1
SCHEMBL12212625 0.82 CYP11B2 (0.42) CYP11B2CYP11B1CYP19A1MAOAMCHR1
SCHEMBL1606215 0.81 CYP11B2 (0.69) CYP11B2CYP11B1CYP19A1MAOA

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 9 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-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-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

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.