SCHEMBL4494516

SCHEMBL4494516

O=C1C(C2CC2)n2cncc2CN1Cc1ccc(F)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
CACNA1H O95180 2/20 0.37
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
IDO1 P14902 2/20 0.36
TDO2 P48775 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 1/20 0.35
RAB9A P51151 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
SCHEMBL4089572 0.90 CYP11B2 (0.42) CYP11B1CYP11B2
SCHEMBL3982940 0.87 CYP11B2 (0.47) CYP11B1CYP11B2ALDH1A1
SCHEMBL3983211 0.86 CYP11B1 (0.47) CYP11B1CYP11B2
SCHEMBL3983165 0.83 CYP11B2 (0.45) CYP11B1CYP11B2ALDH1A1
SCHEMBL3978284 0.83 CYP11B2 (0.45) CYP11B1CYP11B2ALDH1A1IDO1TDO2
SCHEMBL3977142 0.81 CYP11B2 (0.41) CYP11B1CYP11B2CACNA1HIDO1
SCHEMBL4093776 0.81 CYP11B1 (0.41) CYP11B1CYP11B2CACNA1HALDH1A1IDO1
SCHEMBL4501766 0.81 CYP11B1 (0.44) CYP11B1CYP11B2IDO1TDO2
SCHEMBL4084935 0.80 CYP11B1 (0.44) CYP11B1CYP11B2MEN1KMT2A
SCHEMBL3979124 0.80 CYP11B1 (0.64) CYP11B1CYP11B2

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 4 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
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 11/4885CACNA1H 3464/4885

“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.