SCHEMBL21881815

SCHEMBL21881815

COC(=O)C1Cc2c(ccc(C)c2OCc2ccccc2)CN1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.46
KDM4E B2RXH2 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
HSD17B10 Q99714 2/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
ALOX15 P16050 1/20 0.46
AGTR2 P50052 8/20 0.41
PTPN1 P18031 1/20 0.40
AGTR1 P30556 2/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.38
PTGER4 P35408 1/20 0.38
PTGER3 P43115 1/20 0.38
PTGER2 P43116 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
SCHEMBL21881520 1.00 HPGD (0.46) HPGDKDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL21881909 0.90 KDM4E (0.49) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL10047780 0.90 PTPN1 (0.42) AGTR2PTPN1AGTR1PTGER4PTGER3
SCHEMBL21881814 0.89 AGTR2 (0.48) HPGDKDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL21881521 0.89 AGTR2 (0.48) HPGDKDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL21602377 0.88 AGTR2 (0.52) HPGDKDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL21881603 0.88 HPGD (0.45) HPGDKDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL21881853 0.88 HPGD (0.45) HPGDKDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL21881528 0.88 HPGD (0.45) HPGDKDM4ECYP1A2CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL29758873 0.87 AGTR2 (0.51) HPGDKDM4ECYP1A2CYP2D6CYP2C9

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 HPGD 553/4885KDM4E 4199/4885CYP1A2 863/4885
US-11021445-B2 Carboxylic acid derivative as AT2R receptor antagonist AGTR2, AGTR1, HCAR2 HPGD 553/4885KDM4E 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.