SCHEMBL21249681

SCHEMBL21249681

COc1cccc(OC)c1-c1cc(C(=O)NC(Cc2ccccc2)C(=O)O)nn1CC(C)C

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 16/20 0.69
▸ NTSR1 P30989 2/20 0.49
▸ OPRM1 P35372 1/20 0.49
▸ OPRD1 P41143 1/20 0.49
▸ KMT2A Q03164 1/20 0.48

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
SCHEMBL17326634 1.00 APLNR (0.69) APLNRNTSR1OPRM1OPRD1KMT2A
SCHEMBL18963703 0.91 APLNR (0.80) APLNRNTSR1OPRM1OPRD1
SCHEMBL21229210 0.89 APLNR (0.69) APLNRNTSR1OPRM1OPRD1
SCHEMBL17326499 0.89 APLNR (0.69) APLNRNTSR1OPRM1OPRD1
SCHEMBL18976369 0.87 APLNR (0.70) APLNR
SCHEMBL18964102 0.87 APLNR (0.70) APLNR
SCHEMBL18964208 0.86 APLNR (0.85) APLNR
SCHEMBL18964195 0.86 APLNR (0.85) APLNR
SCHEMBL17326759 0.85 APLNR (0.77) APLNRKMT2A
SCHEMBL17326745 0.85 APLNR (0.77) APLNRKMT2A

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 2 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

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-10377718-B2 Apelin receptor (APJ) agonists and uses thereof APLNR, AP1G1, APMAP APLNR 1/4885NTSR1 15/4885OPRM1 172/4885
US-20190315693-A1 APELIN RECEPTOR (APJ) AGONISTS AND USES THEREOF APLNR, AP1G1, APMAP APLNR 1/4885NTSR1 15/4885OPRM1 172/4885

“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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