SCHEMBL17326745

SCHEMBL17326745

COc1cccc(OC)c1-c1cc(C(=O)N[C@@H](C)CCc2ccccc2)nn1CC(C)C

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 15/20 0.77
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ TAS1R3 Q7RTX0 1/20 0.51
▸ TAS1R1 Q7RTX1 1/20 0.51

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
SCHEMBL17326759 1.00 APLNR (0.77) APLNRMEN1KMT2ATAS1R3TAS1R1
SCHEMBL17326696 0.92 APLNR (0.66) APLNRMEN1KMT2ATAS1R3TAS1R1
SCHEMBL17326692 0.92 APLNR (0.66) APLNRMEN1KMT2ATAS1R3TAS1R1
SCHEMBL18963703 0.91 APLNR (0.80) APLNR
SCHEMBL21468163 0.89 APLNR (0.77) APLNR
SCHEMBL17326633 0.89 APLNR (0.77) APLNR
SCHEMBL28450819 0.87 APLNR (0.68) APLNR
SCHEMBL21229205 0.87 APLNR (1.00) APLNR
SCHEMBL17326733 0.87 APLNR (1.00) APLNR
SCHEMBL21229215 0.85 APLNR (0.88) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 1/4885MEN1 3512/4885KMT2A 4000/4885
US-10377718-B2 Apelin receptor (APJ) agonists and uses thereof APLNR, AP1G1, APMAP APLNR 1/4885MEN1 3512/4885KMT2A 4000/4885
US-20190315693-A1 APELIN RECEPTOR (APJ) AGONISTS AND USES THEREOF APLNR, AP1G1, APMAP APLNR 1/4885MEN1 3512/4885KMT2A 4000/4885

“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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