SCHEMBL3465309

SCHEMBL3465309

COc1ccc2c(c1)CCC21CCCC(C#N)N1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.43
ADRA2A P08913 2/20 0.39
POLA1 P09884 2/20 0.38
PDE7A Q13946 1/20 0.38
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
CYP3A4 P08684 1/20 0.36
DPP4 P27487 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
SCHEMBL742452 0.81 KDM1A (0.39) KDM1AADRA2APOLA1DRD2DRD3
SCHEMBL3464559 0.79 KDM1A (0.46) KDM1AADRA2APOLA1PDE7ADRD2
SCHEMBL28465895 0.74 KDM1A (0.48) KDM1AADRA2APDE7ADRD2DRD3
SCHEMBL3465090 0.71 PDE7A (0.53) KDM1AADRA2APDE7ACYP2C19
SCHEMBL9364511 0.67 KDM1A (0.46) KDM1AADRA2ADRD2DRD3CYP3A4
SCHEMBL14790123 0.66 KDM1A (0.55) KDM1AADRA2APOLA1DRD2DRD3
SCHEMBL1495858 0.65 KDM1A (0.53) KDM1AADRA2ADRD2DRD3CYP3A4
SCHEMBL742411 0.65 KDM1A (0.42) KDM1AADRA2ADRD2DRD3CYP2C19
SCHEMBL2313616 0.64 POLA1 (0.45) KDM1AADRA2APOLA1CYP2C19CYP2C9
SCHEMBL9364462 0.64 ADRA2A (0.43) KDM1AADRA2ADRD2DRD3CYP3A4

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 379/4885POLA1 1668/4885

“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.