SCHEMBL4084935

SCHEMBL4084935

COc1ccc(CN2Cc3cncn3C(C3CC3)C2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 5/20 0.44
CYP11B2 P19099 5/20 0.44
MMP1 P03956 1/20 0.39
MMP13 P45452 1/20 0.39
GABRA5 P31644 1/20 0.39
GAA P10253 1/20 0.39
GRM2 Q14416 1/20 0.39
CYP3A4 P08684 1/20 0.39
PDE1A P54750 1/20 0.39
PDE1B Q01064 1/20 0.39
PDE1C Q14123 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
COMT P21964 1/20 0.38
CMA1 P23946 1/20 0.38
NPBWR1 P48145 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL3983211 0.86 CYP11B1 (0.47) CYP11B1CYP11B2CYP3A4
SCHEMBL3982940 0.85 CYP11B2 (0.47) CYP11B1CYP11B2
SCHEMBL3979124 0.82 CYP11B1 (0.64) CYP11B1CYP11B2
SCHEMBL3978284 0.81 CYP11B2 (0.45) CYP11B1CYP11B2
SCHEMBL3983165 0.81 CYP11B2 (0.45) CYP11B1CYP11B2
SCHEMBL4501766 0.81 CYP11B1 (0.44) CYP11B1CYP11B2CYP3A4
SCHEMBL4494516 0.80 CYP11B1 (0.41) CYP11B1CYP11B2KMT2AMEN1
SCHEMBL4089572 0.80 CYP11B2 (0.42) CYP11B1CYP11B2
SCHEMBL3976865 0.79 CYP11B2 (0.43) CYP11B1CYP11B2CYP3A4PDE1APDE1B
SCHEMBL3570587 0.79 CYP11B1 (0.57) CYP11B1CYP11B2MMP1MMP13GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264420-A1 ORGANIC COMPOUNDS KSANDER GARY MICHAEL 2009-10-22 US disclosed
US-20090264420-A1 ORGANIC COMPOUNDS KSANDER GARY MICHAEL 2009-10-22 US disclosed
US-20090264420-A1 ORGANIC COMPOUNDS KSANDER GARY MICHAEL 2009-10-22 US disclosed
EP-2057163-A1 FUSED IMIDAZOLE DERIVATIVES FOR THE TREATMENT OF DISORDERS MEDIATED BY ALDOSTERONE SYNTHASE AND/OR 11-BETA-HYDROXYLASE AND/OR AROMATASE Novartis AG (CH) 2009-05-13 EP disclosed
WO-2008027284-A1 FUSED IMIDAZOLE DERIVATIVES FOR THE TREATMENT OF DISORDERS MEDIATED BY ALDOSTERONE SYNTHASE AND/OR 11-BETA-HYDROXYLASE AND/OR AROMATASE NOVARTIS AG (CH) 2008-03-06 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-20090264420-A1 ORGANIC COMPOUNDS CYP17A1, CYP11B1, CYP46A1 CYP11B1 2/4885CYP11B2 11/4885MMP1 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.