SCHEMBL3464504

SCHEMBL3464504

Oc1ccc2c(c1)CCC21CCCc2cncn21

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.39
ESR1 P03372 11/20 0.36
ESR2 Q92731 11/20 0.36
CYP11B2 P19099 4/20 0.35
SIGMAR1 Q99720 1/20 0.32

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
SCHEMBL733033 0.81 ESR1 (0.34) CYP19A1ESR1ESR2CYP11B2
SCHEMBL3465175 0.81 CYP19A1 (0.56) CYP19A1CYP11B2
SCHEMBL3464404 0.81 CYP19A1 (0.36) CYP19A1CYP11B2
SCHEMBL3466178 0.78 CYP19A1 (0.60) CYP19A1CYP11B2
SCHEMBL3464936 0.76 CYP19A1 (0.35) CYP19A1CYP11B2
SCHEMBL3465912 0.69 CYP19A1 (0.55) CYP19A1CYP11B2
SCHEMBL29646250 0.67 ESR2 (0.53) ESR1ESR2
SCHEMBL215429 0.67 ESR2 (0.53) ESR1ESR2
SCHEMBL741381 0.65 CYP19A1 (0.48) CYP19A1CYP11B2
SCHEMBL743695 0.65 ADRA2A (0.37) CYP19A1CYP11B2SIGMAR1

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 CYP19A1 37/4885ESR1 966/4885ESR2 1075/4885

“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.