SCHEMBL3978769

SCHEMBL3978769

CCCC1(C(C)(C)C)C(=O)N(Cc2ccc(F)cc2)Cc2cncn21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 6/20 0.54
CYP11B1 P15538 3/20 0.36
RAB9A P51151 2/20 0.34
POLB P06746 2/20 0.34
ALDH1A1 P00352 2/20 0.34
OPRM1 P35372 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33
LMNA P02545 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
GRM2 Q14416 1/20 0.32
MITF O75030 1/20 0.32
PKM P14618 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TAS2R8 Q9NYW2 1/20 0.32
TP53 P04637 1/20 0.31
BRD4 O60885 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
SCHEMBL4269316 0.92 CYP11B2 (0.53) CYP11B2CYP11B1RAB9APOLBALDH1A1
SCHEMBL3981385 0.80 CYP11B2 (0.56) CYP11B2CYP11B1RAB9APOLBALDH1A1
SCHEMBL3984392 0.80 CYP11B2 (0.58) CYP11B2CYP11B1RAB9APOLBALDH1A1
SCHEMBL3463898 0.78 CYP11B2 (0.81) CYP11B2CYP11B1RAB9APOLBALDH1A1
SCHEMBL3463896 0.78 CYP11B2 (0.81) CYP11B2CYP11B1RAB9APOLBALDH1A1
SCHEMBL3464840 0.77 CYP11B2 (0.62) CYP11B2CYP11B1
SCHEMBL3464837 0.77 CYP11B2 (0.62) CYP11B2CYP11B1
SCHEMBL13673073 0.76 CYP11B2 (0.54) CYP11B2CYP11B1RAB9APOLBALDH1A1
SCHEMBL8222022 0.75 CYP11B2 (0.53) CYP11B2CYP11B1RAB9APOLBALDH1A1
SCHEMBL3464675 0.74 CYP11B2 (0.70) CYP11B2CYP11B1

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 6 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
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 CYP11B2 11/4885CYP11B1 2/4885RAB9A 3066/4885

“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.