SCHEMBL4501766

SCHEMBL4501766

O=C1C(C2CCCCC2)n2cncc2CN1Cc1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 8/20 0.44
CYP11B2 P19099 8/20 0.44
CYP3A4 P08684 3/20 0.43
HTT P42858 1/20 0.37
IDO1 P14902 2/20 0.37
TDO2 P48775 1/20 0.37
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
PGGT1B P53609 1/20 0.37
CCR1 P32246 1/20 0.36
CCR2 P41597 1/20 0.36
CYP19A1 P11511 1/20 0.36
DRD2 P14416 1/20 0.35
DRD4 P21917 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
SCHEMBL3983211 0.94 CYP11B1 (0.47) CYP11B1CYP11B2CYP3A4FNTAFNTB
SCHEMBL3976865 0.89 CYP11B2 (0.43) CYP11B1CYP11B2CYP3A4IDO1TDO2
SCHEMBL3978284 0.89 CYP11B2 (0.45) CYP11B1CYP11B2HTTIDO1TDO2
SCHEMBL8218114 0.86 CYP11B2 (0.41) CYP11B1CYP11B2CYP3A4HTTIDO1
SCHEMBL3983165 0.86 CYP11B2 (0.45) CYP11B1CYP11B2HTTCYP19A1
SCHEMBL3982940 0.84 CYP11B2 (0.47) CYP11B1CYP11B2HTT
SCHEMBL4084935 0.81 CYP11B1 (0.44) CYP11B1CYP11B2CYP3A4
SCHEMBL3979124 0.81 CYP11B1 (0.64) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL4494516 0.81 CYP11B1 (0.41) CYP11B1CYP11B2IDO1TDO2
SCHEMBL4089572 0.81 CYP11B2 (0.42) CYP11B1CYP11B2DRD4

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 3 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

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.