SCHEMBL3465028

SCHEMBL3465028

COc1ccc2c(c1)OCCC21CCCC(=O)N1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 3/20 0.49
MGAT2 Q10469 1/20 0.37
CYP2C19 P33261 1/20 0.37
KDM1A O60341 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
CA2 P00918 1/20 0.36
CA5A P35218 1/20 0.36
DRD2 P14416 1/20 0.36
DRD1 P21728 1/20 0.36
DRD4 P21917 1/20 0.36
DRD5 P21918 1/20 0.36
DRD3 P35462 1/20 0.36
SCN9A Q15858 2/20 0.35
CYP19A1 P11511 1/20 0.35
HTR2C P28335 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL3464633 0.81 MAOA (0.41) MEN1KMT2A
SCHEMBL3465090 0.80 PDE7A (0.53) PDE7ACYP2C19KDM1AMEN1KMT2A
SCHEMBL31372096 0.72 DRD2 (0.39) PDE7AKDM1ACA2CA5ADRD2
SCHEMBL31371933 0.72 CA2 (0.40) PDE7AKDM1AGRIN1GRIN2AGRIN2B
SCHEMBL4641423 0.71 DRD2 (0.41) KDM1ACA2CA5ADRD2DRD1
SCHEMBL31371949 0.71 DRD2 (0.44) PDE7AKDM1ACA2CA5ADRD2
SCHEMBL31371868 0.71 DRD2 (0.41) KDM1ACA2CA5ADRD2DRD1
SCHEMBL16775285 0.70 TP53 (0.42) SCN9ACYP19A1MEN1KMT2A
SCHEMBL11444836 0.69 MAP3K14 (0.41) CA2CA5ADRD2DRD1DRD4
SCHEMBL15964652 0.68 PDE3B (0.50) CYP2C19DRD2DRD4DRD3

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 PDE7A 915/4885MGAT2 2034/4885CYP2C19 49/4885

“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.