SCHEMBL7946875

SCHEMBL7946875

Cn1c(-c2cncc(CN[C@H]3CCNC3)c2)c(N)c2ccc(Cl)cc21

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 4/20 0.45
CYP11B1 P15538 2/20 0.45
CYP19A1 P11511 1/20 0.45
KDM1A O60341 3/20 0.35
DDR1 Q08345 2/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 2/20 0.33
HTR6 P50406 2/20 0.33
KCNH2 Q12809 2/20 0.33
CYP2D6 P10635 1/20 0.33
GRIN2B Q13224 1/20 0.33
OPRL1 P41146 2/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
CHEK1 O14757 1/20 0.32
CHEK2 O96017 1/20 0.31
AXL P30530 1/20 0.31

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
SCHEMBL12733182 1.00 CYP11B2 (0.45) CYP11B2CYP11B1CYP19A1KDM1ADDR1
SCHEMBL1605853 0.87 CYP11B2 (0.62) CYP11B2CYP11B1CYP19A1KDM1ADDR1
SCHEMBL1605732 0.87 CYP11B2 (0.62) CYP11B2CYP11B1CYP19A1KDM1ADDR1
SCHEMBL1605728 0.87 CYP11B2 (0.62) CYP11B2CYP11B1CYP19A1KDM1ADDR1
SCHEMBL12212637 0.77 CYP11B2 (0.49) CYP11B2CYP11B1CYP19A1MAOA
SCHEMBL12733177 0.77 MAPK8 (0.46) CYP11B2CYP11B1CYP19A1
SCHEMBL7941970 0.77 MAPK8 (0.46) CYP11B2CYP11B1CYP19A1
SCHEMBL12211865 0.77 MAPK8 (0.46) CYP11B2CYP11B1CYP19A1
SCHEMBL12212625 0.75 CYP11B2 (0.42) CYP11B2CYP11B1CYP19A1MAOAKCNH2
SCHEMBL12212633 0.73 CYP11B2 (0.41) CYP11B2CYP11B1CYP19A1KDM1ADDR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8030334-B2 Organic compounds NOVARTIS AG (CH) 2011-10-04 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 (1 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-20100261698-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP11B2 13/4885CYP11B1 14/4885CYP19A1 68/4885

“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.