SCHEMBL3984392

SCHEMBL3984392

CC1(C)C(=O)N(Cc2ccc(F)cc2)Cc2cncn21

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 6/20 0.58
CYP11B1 P15538 3/20 0.41
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
TAS2R8 Q9NYW2 2/20 0.37
RAB9A P51151 2/20 0.37
CREBBP Q92793 1/20 0.37
MITF O75030 1/20 0.36
PKM P14618 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPK1 P28482 1/20 0.36
GRM2 Q14416 1/20 0.36
TP53 P04637 1/20 0.35
BRD4 O60885 1/20 0.35
KAT2B Q92831 1/20 0.35
MAPT P10636 1/20 0.35
AKR1B1 P15121 1/20 0.35

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
SCHEMBL3981385 0.85 CYP11B2 (0.56) CYP11B2CYP11B1ALDH1A1POLBTAS2R8
SCHEMBL13673073 0.83 CYP11B2 (0.54) CYP11B2CYP11B1ALDH1A1POLBRAB9A
SCHEMBL3579058 0.82 CYP11B2 (0.52) CYP11B2CYP11B1ALDH1A1POLBTAS2R8
SCHEMBL8222022 0.82 CYP11B2 (0.53) CYP11B2CYP11B1ALDH1A1POLBRAB9A
SCHEMBL4269316 0.82 CYP11B2 (0.53) CYP11B2CYP11B1ALDH1A1POLBTAS2R8
Hydrochloric Acid SCHEMBL3571527 0.81 CYP11B2 (0.51) CYP11B2CYP11B1ALDH1A1POLBTAS2R8
SCHEMBL3978769 0.80 CYP11B2 (0.54) CYP11B2CYP11B1ALDH1A1POLBTAS2R8
SCHEMBL3576163 0.80 CYP11B2 (0.49) CYP11B2CYP11B1
SCHEMBL3465432 0.77 CYP11B2 (0.55) CYP11B2CYP11B1
SCHEMBL3463896 0.77 CYP11B2 (0.81) CYP11B2CYP11B1ALDH1A1POLBRAB9A

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 2/4885ALDH1A1 157/4885

“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.