SCHEMBL18608232

SCHEMBL18608232

CCOC(=O)C1Cc2c(ccc(OC)c2OCc2ccccc2)CN1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 14/20 0.59
AGTR1 P30556 2/20 0.49
KDM4E B2RXH2 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP2C19 P33261 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL21881185 1.00 AGTR2 (0.59) AGTR2AGTR1KDM4ECYP1A2CYP2D6
SCHEMBL21881848 1.00 AGTR2 (0.59) AGTR2AGTR1KDM4ECYP1A2CYP2D6
Hydrochloric Acid SCHEMBL29758892 0.99 AGTR2 (0.58) AGTR2AGTR1KDM4ECYP1A2CYP2D6
Hydrochloric Acid SCHEMBL21596260 0.99 AGTR2 (0.58) AGTR2AGTR1KDM4ECYP1A2CYP2D6
SCHEMBL23315467 0.91 AGTR2 (0.49) AGTR2AGTR1KDM4ECYP1A2CYP2D6
SCHEMBL21881614 0.91 AGTR2 (0.49) AGTR2AGTR1KDM4ECYP1A2CYP2D6
SCHEMBL21602377 0.91 AGTR2 (0.52) AGTR2AGTR1KDM4ECYP1A2CYP2D6
SCHEMBL21881389 0.90 AGTR2 (0.51) AGTR2AGTR1KDM4ECYP1A2CYP2D6
SCHEMBL21881186 0.90 AGTR2 (0.49) AGTR2AGTR1KDM4ECYP1A2CYP2D6
SCHEMBL21881194 0.90 AGTR2 (0.49) AGTR2AGTR1KDM4ECYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11384097-B2 Tetrahydroisoquinoline derivative, preparation method therefor and use thereof ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2022-07-12 US disclosed
US-20210277021-A1 TETRAHYDROISOQUINOLINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2021-09-09 US disclosed
US-11021445-B2 Carboxylic acid derivative as AT2R receptor antagonist SHANDONG DANHONG PHARMACEUTICAL CO LTD (CN) 2021-06-01 US disclosed
EP-3819293-A1 ANGIOTENSIN II RECEPTOR 2 ANTAGONIST SALT FORM AND CRYSTALLINE FORM, AND PREPARATION METHOD THEREFOR Shandong Danhong Pharmaceutical Co., Ltd. (CN) 2021-05-12 EP disclosed
EP-3620454-B1 CARBOXYLIC ACID DERIVATIVE AS AT2R RECEPTOR ANTAGONIST SHANDONG DANHONG PHARMACEUTICAL CO LTD (CN) 2021-05-05 EP disclosed
CN-106478502-B 1,2,3, 4-tetrahydroisoquinoline derivatives, preparation method and application thereof 上海翰森生物医药科技有限公司 2021-04-27 CN disclosed
CN-107922340-B 1,2,3, 4-tetrahydroisoquinoline derivatives, preparation method and application thereof 上海翰森生物医药科技有限公司 2020-07-10 CN disclosed
US-20200102275-A1 CARBOXYLIC ACID DERIVATIVE AS AT2R RECEPTOR ANTAGONIST SHANDONG DANHONG PHARMACEUTICAL CO., LTD. 2020-04-02 US disclosed
WO-2019242599-A1 TETRAHYDRO ISOQUINOLINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF 浙江海正药业股份有限公司 2019-12-26 WO disclosed
WO-2017036318-A1 1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海翰森生物医药科技有限公司 2017-03-09 WO 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 (4 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-11384097-B2 Tetrahydroisoquinoline derivative, preparation method therefor and use thereof AGTR2, AGTR1, AVPR2 AGTR2 1/4885AGTR1 2/4885KDM4E 3999/4885
US-20200102275-A1 CARBOXYLIC ACID DERIVATIVE AS AT2R RECEPTOR ANTAGONIST AGTR2, AGTR1, HCAR2 AGTR2 1/4885AGTR1 2/4885KDM4E 4199/4885
US-11021445-B2 Carboxylic acid derivative as AT2R receptor antagonist AGTR2, AGTR1, HCAR2 AGTR2 1/4885AGTR1 2/4885KDM4E 4199/4885
US-20210277021-A1 TETRAHYDROISOQUINOLINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF AGTR2, AGTR1, AVPR2 AGTR2 1/4885AGTR1 2/4885KDM4E 3999/4885

“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.