SCHEMBL3494480

SCHEMBL3494480

CC(C)(C)C1[C@@H](C=O)N(C(=O)c2ncn(C3Cc4ccccc4C3)c2-c2ccccc2)CCN1C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 4/20 0.35
KDM4A O75164 1/20 0.30
KDM5A P29375 1/20 0.30
KDM4C Q9H3R0 1/20 0.30
KDM5B Q9UGL1 1/20 0.30

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
SCHEMBL4988573 0.79 CYP11B2 (0.36) CYP11B2KDM4AKDM5AKDM4CKDM5B
SCHEMBL3494477 0.77 USP30 (0.39)
SCHEMBL3496018 0.73 CYP11B2 (0.35) CYP11B2KDM4AKDM5AKDM4CKDM5B
SCHEMBL3491411 0.73 CYP11B2 (0.49) CYP11B2KDM4AKDM5AKDM4CKDM5B
SCHEMBL3495602 0.72 CYP11B2 (0.34) CYP11B2
SCHEMBL3493920 0.72 CYP11B2 (0.34) CYP11B2
SCHEMBL3493922 0.72 CYP11B2 (0.34) CYP11B2
SCHEMBL13341052 0.71 EGFR (0.39)
SCHEMBL3494782 0.70 CYP11B2 (0.44) CYP11B2
SCHEMBL3495160 0.70 CYP11B2 (0.34) CYP11B2

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-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-13 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-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension REN, AGTR1, AGTR2 CYP11B2 29/4885KDM4A 1218/4885KDM5A 539/4885

“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.