SCHEMBL3976515

SCHEMBL3976515

O=C1C(C2CCC2)n2cncc2CCN1Cc1cccc(F)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
KMT2A Q03164 5/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 2/20 0.40
PTGER4 P35408 1/20 0.38
PTGER2 P43116 1/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
F2 P00734 3/20 0.37
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
CDK9 P50750 1/20 0.37
PDE1C Q14123 1/20 0.36

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
SCHEMBL3974966 0.88 CYP11B2 (0.40) RAB9AALDH1A1
SCHEMBL3978295 0.81 FNTA (0.42) FNTAFNTBKMT2ANPC1RAB9A
SCHEMBL3977623 0.79 CYP11B2 (0.50) FNTAFNTB
SCHEMBL3978260 0.78 FNTA (0.41) FNTAFNTBKMT2ANPC1RAB9A
SCHEMBL3983165 0.77 CYP11B2 (0.45) ALDH1A1
SCHEMBL3978284 0.75 CYP11B2 (0.45) ALDH1A1IDO1TDO2
SCHEMBL3982940 0.72 CYP11B2 (0.47) ALDH1A1
SCHEMBL4494516 0.72 CYP11B1 (0.41) KMT2ARAB9AMEN1ALDH1A1KDM4E
SCHEMBL4094875 0.70 CYP11B2 (0.45) FNTAFNTBKMT2AMEN1PDE1C
SCHEMBL4089572 0.69 CYP11B2 (0.42)

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 FNTA 1865/4885FNTB 1176/4885KMT2A 3334/4885

“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.