SCHEMBL3463695

SCHEMBL3463695

COc1ccc2c(c1)CCC21CCCc2cncn21

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.43
ADRA2A P08913 2/20 0.39
CYP11B2 P19099 4/20 0.37
LMNA P02545 1/20 0.37
CYP19A1 P11511 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.36
SIGMAR1 Q99720 2/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
CYP11B1 P15538 1/20 0.36
DRD2 P14416 1/20 0.35
DRD1 P21728 1/20 0.35
DRD5 P21918 1/20 0.35
DRD3 P35462 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
SCHEMBL743695 0.83 ADRA2A (0.37) KDM1AADRA2ACYP11B2LMNACYP19A1
SCHEMBL3464936 0.82 CYP19A1 (0.35) CYP11B2CYP19A1DRD2DRD3
SCHEMBL3464420 0.82 CYP11B2 (0.35) KDM1ACYP11B2CYP19A1SIGMAR1DRD2
SCHEMBL3466178 0.75 CYP19A1 (0.60) KDM1ACYP11B2CYP19A1CYP11B1
SCHEMBL13564610 0.73 CYP19A1 (0.58) KDM1ACYP11B2CYP19A1CYP11B1
SCHEMBL1129300 0.68 KDM1A (0.40) KDM1AADRA2ACYP11B2LMNACYP3A4
SCHEMBL3464978 0.68 KDM1A (0.42) KDM1AADRA2ALMNACYP3A4CYP2C19
SCHEMBL3465912 0.66 CYP19A1 (0.55) CYP11B2CYP19A1CYP11B1
SCHEMBL4640481 0.66 KDM1A (0.61) KDM1AADRA2ALMNACYP2C19SIGMAR1
SCHEMBL3464404 0.66 CYP19A1 (0.36) CYP11B2CYP19A1DRD2DRD1DRD5

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100168145-A1 FUSED IMIDAZOLE DERIVATIVES AND USE THEREOF AS ALDOSTERONE SYNTHASE INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2010-07-01 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-20100168145-A1 FUSED IMIDAZOLE DERIVATIVES AND USE THEREOF AS ALDOSTERONE SYNTHASE INHIBITORS CYP21A2, CYP11B1, CYP17A1 KDM1A 2819/4885ADRA2A 379/4885CYP11B2 4/4885

“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.