SCHEMBL21881389

SCHEMBL21881389

CCOC(=O)[C@@H]1Cc2c(ccc(OC)c2OCCc2ccccc2)CN1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 8/20 0.51
KDM4E B2RXH2 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
MAPK1 P28482 1/20 0.45
CYP2C19 P33261 1/20 0.45
HSD17B10 Q99714 1/20 0.45
AGTR1 P30556 2/20 0.40
SCN9A Q15858 1/20 0.39
PDE4D Q08499 1/20 0.38

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
SCHEMBL21881848 0.90 AGTR2 (0.59) AGTR2KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL21881185 0.90 AGTR2 (0.59) AGTR2KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL18608232 0.90 AGTR2 (0.59) AGTR2KDM4ECYP1A2CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL29758892 0.89 AGTR2 (0.58) AGTR2KDM4ECYP1A2CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL21596260 0.89 AGTR2 (0.58) AGTR2KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL8964415 0.89 AGTR2 (0.57) AGTR2AGTR1SCN9APDE4D
SCHEMBL8964420 0.89 AGTR2 (0.57) AGTR2AGTR1SCN9APDE4D
SCHEMBL18608229 0.87 CYP1A2 (0.44) AGTR2KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL21881616 0.85 KDM4E (0.49) AGTR2KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL21881194 0.83 AGTR2 (0.49) AGTR2KDM4ECYP1A2CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11021445-B2 Carboxylic acid derivative as AT2R receptor antagonist SHANDONG DANHONG PHARMACEUTICAL CO LTD (CN) 2021-06-01 US disclosed
EP-3620454-B1 CARBOXYLIC ACID DERIVATIVE AS AT2R RECEPTOR ANTAGONIST SHANDONG DANHONG PHARMACEUTICAL CO LTD (CN) 2021-05-05 EP disclosed
US-20200102275-A1 CARBOXYLIC ACID DERIVATIVE AS AT2R RECEPTOR ANTAGONIST SHANDONG DANHONG PHARMACEUTICAL CO., LTD. 2020-04-02 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 (2 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-20200102275-A1 CARBOXYLIC ACID DERIVATIVE AS AT2R RECEPTOR ANTAGONIST AGTR2, AGTR1, HCAR2 AGTR2 1/4885KDM4E 4199/4885CYP1A2 863/4885
US-11021445-B2 Carboxylic acid derivative as AT2R receptor antagonist AGTR2, AGTR1, HCAR2 AGTR2 1/4885KDM4E 4199/4885CYP1A2 863/4885

“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.