SCHEMBL17317412

SCHEMBL17317412

COc1cccc(OC)c1-c1cc(C(=O)O)nn1CC(C)C

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 16/20 0.57
▸ SLC16A3 O15427 1/20 0.43
▸ SLC16A1 P53985 1/20 0.43
▸ PTGER1 P34995 1/20 0.42
▸ NR1H2 P55055 1/20 0.42

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
Water SCHEMBL28460547 0.96 APLNR (0.54) APLNRSLC16A3SLC16A1PTGER1NR1H2
SCHEMBL17930854 0.94 APLNR (0.52) APLNRSLC16A3SLC16A1PTGER1NR1H2
SCHEMBL17317464 0.86 NR1H2 (0.58) APLNRNR1H2
SCHEMBL17930611 0.82 APLNR (0.66) APLNR
SCHEMBL17326632 0.82 APLNR (0.61) APLNR
SCHEMBL17317704 0.81 APLNR (0.73) APLNR
SCHEMBL17326410 0.81 APLNR (0.73) APLNR
SCHEMBL17929216 0.81 APLNR (0.73) APLNR
SCHEMBL28450842 0.81 APLNR (0.60) APLNR
SCHEMBL21249681 0.80 APLNR (0.69) APLNR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11401244-B2 Apelin receptor (APJ) agonists and uses thereof RESEARCH TRIANGLE INSTITUTE (US) 2022-08-02 — — US disclosed
US-20190315693-A1 APELIN RECEPTOR (APJ) AGONISTS AND USES THEREOF RES TRIANGLE INST (US) 2019-10-17 — — US disclosed
US-20190315693-A1 APELIN RECEPTOR (APJ) AGONISTS AND USES THEREOF RES TRIANGLE INST (US) 2019-10-17 — — US disclosed
US-10377718-B2 Apelin receptor (APJ) agonists and uses thereof RESEARCH TRIANGLE INSTITUTE (US) 2019-08-13 — — US disclosed
US-10377718-B2 Apelin receptor (APJ) agonists and uses thereof RESEARCH TRIANGLE INSTITUTE (US) 2019-08-13 — — US disclosed
EP-3152200-A1 APELIN RECEPTOR (APJ) AGONISTS AND USES THEREOF Research Triangle Institute (US) 2017-04-12 — — EP disclosed
US-20160207889-A1 APELIN RECEPTOR (APJ) AGONISTS AND USES THEREOF RESEARCH TRIANGLE INSTITUTE 2016-07-21 — — US disclosed
US-20160207889-A1 APELIN RECEPTOR (APJ) AGONISTS AND USES THEREOF RESEARCH TRIANGLE INSTITUTE 2016-07-21 — — US disclosed
US-20160207889-A1 APELIN RECEPTOR (APJ) AGONISTS AND USES THEREOF RESEARCH TRIANGLE INSTITUTE 2016-07-21 — — US disclosed
WO-2015188073-A1 APELIN RECEPTOR (APJ) AGONISTS AND USES THEREOF RESEARCH TRIANGLE INSTITUTE (US) 2015-12-10 — — WO disclosed
WO-2015188073-A1 APELIN RECEPTOR (APJ) AGONISTS AND USES THEREOF RESEARCH TRIANGLE INSTITUTE (US) 2015-12-10 — — 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-20160207889-A1 APELIN RECEPTOR (APJ) AGONISTS AND USES THEREOF APLNR, AP1G1, APMAP APLNR 1/4885SLC16A3 1638/4885SLC16A1 1598/4885
US-11401244-B2 Apelin receptor (APJ) agonists and uses thereof APLNR, AP1G1, APMAP APLNR 1/4885SLC16A3 1638/4885SLC16A1 1598/4885
US-10377718-B2 Apelin receptor (APJ) agonists and uses thereof APLNR, AP1G1, APMAP APLNR 1/4885SLC16A3 1638/4885SLC16A1 1598/4885
US-20190315693-A1 APELIN RECEPTOR (APJ) AGONISTS AND USES THEREOF APLNR, AP1G1, APMAP APLNR 1/4885SLC16A3 1638/4885SLC16A1 1598/4885

“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.

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