SCHEMBL4093776

SCHEMBL4093776

CC(C)(C)C1C(=O)N(Cc2ccc(F)c(F)c2)Cc2cncn21

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 5/20 0.41
CYP11B2 P19099 5/20 0.41
CYP3A4 P08684 3/20 0.36
GRM2 Q14416 1/20 0.35
MAPK1 P28482 1/20 0.35
BRD4 O60885 1/20 0.34
DRD4 P21917 2/20 0.34
SIGMAR1 Q99720 2/20 0.34
TMEM97 Q5BJF2 1/20 0.34
IDO1 P14902 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
CACNA1G O43497 1/20 0.33
CACNA1H O95180 1/20 0.33
CACNA1I Q9P0X4 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
SCHEMBL3982570 0.91 CYP11B2 (0.41) CYP11B1CYP11B2CYP3A4MAPK1DRD4
SCHEMBL3979748 0.88 CYP11B2 (0.48) CYP11B1CYP11B2CYP3A4GRM2ALDH1A1
SCHEMBL3979450 0.86 CYP11B1 (0.47) CYP11B1CYP11B2CYP3A4GRM2
SCHEMBL3977142 0.83 CYP11B2 (0.41) CYP11B1CYP11B2CYP3A4GRM2MAPK1
SCHEMBL4494516 0.81 CYP11B1 (0.41) CYP11B1CYP11B2IDO1ALDH1A1CACNA1H
SCHEMBL4512559 0.80 CYP11B2 (0.63) CYP11B1CYP11B2
SCHEMBL4503136 0.78 CYP11B2 (0.46) CYP11B1CYP11B2CYP3A4GRM2ALDH1A1
SCHEMBL3979552 0.77 CYP11B2 (0.45) CYP11B1CYP11B2CYP3A4GRM2ALDH1A1
SCHEMBL3976120 0.74 CYP11B2 (0.42) CYP11B1CYP11B2CYP3A4GRM2MAPK1
SCHEMBL4089572 0.72 CYP11B2 (0.42) CYP11B1CYP11B2MAPK1DRD4SIGMAR1

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 11/4885CYP3A4 147/4885

“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.