SCHEMBL18939629

SCHEMBL18939629

CCCCCc1cc(C(=O)OCC)nn1C1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
FAAH O00519 5/20 0.40
ALDH1A1 P00352 4/20 0.40
MAPK1 P28482 1/20 0.40
PDE7A Q13946 1/20 0.39
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 2/20 0.37
TP53 P04637 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CNR2 P34972 1/20 0.36

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
SCHEMBL18939268 0.85 HCAR3 (0.43) PKMSMN1; SMN2CNR2
SCHEMBL18939308 0.81 KMT2A (0.46) KMT2AFAAHALDH1A1MAPK1PDE7A
SCHEMBL18939348 0.80 KMT2A (0.45) KMT2AFAAHALDH1A1MAPK1PDE7A
SCHEMBL26643565 0.80 KMT2A (0.45) KMT2AFAAHALDH1A1MAPK1PDE7A
SCHEMBL31389901 0.79 KMT2A (0.46) KMT2AFAAHALDH1A1MAPK1PDE7A
SCHEMBL14357203 0.79 PDE7A (0.45) KMT2AFAAHALDH1A1MAPK1PDE7A
SCHEMBL30979687 0.78 FAAH (0.45) KMT2AFAAHALDH1A1MAPK1PDE7A
SCHEMBL4882370 0.77 CNR2 (0.46) CNR2
SCHEMBL16245033 0.76 KMT2A (0.48) KMT2AFAAHPOLBMAPT
SCHEMBL20944275 0.75 KMT2A (0.47) KMT2AFAAHPOLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE49594-E1 Apelin receptor (APJ) agonists and uses thereof RESEARCH TRIANGLE INSTITUTE (US) 2023-08-01 US disclosed
US-11535630-B2 Apelin receptor (APJ) agonists and uses thereof RESEARCH TRIANGLE INSTITUTE (US) 2022-12-27 US disclosed
US-10954247-B2 Apelin receptor (APJ) agonists and uses thereof RESEARCH TRIANGLE INSTITUTE (NC) 2021-03-23 US disclosed
US-20210070767-A1 APELIN RECEPTOR (APJ) AGONISTS AND USES THEREOF RESEARCH TRIANGLE INSTITUTE 2021-03-11 US disclosed
EP-3386976-A1 IMPROVED APELIN RECEPTOR (APJ) AGONISTS AND USES THEREOF Research Triangle Institute, International (US) 2018-10-17 EP disclosed
US-10100059-B2 Apelin receptor (APJ) agonists and uses thereof RESEARCH TRIANGLE INSTITUTE (US) 2018-10-16 US disclosed
US-20180265518-A1 APELIN RECEPTOR (APJ) AGONISTS AND USES THEREOF RESEARCH TRIANGLE INSTITUTE 2018-09-20 US disclosed
WO-2017100558-A1 IMPROVED APELIN RECEPTOR (APJ) AGONISTS AND USES THEREOF RESEARCH TRIANGLE INSTITUTE (US) 2017-06-15 WO disclosed
US-20170166577-A1 APELIN RECEPTOR (APJ) AGONISTS AND USES THEREOF RESEARCH TRIANGLE INSTITUTE 2017-06-15 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 (6 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-20170166577-A1 APELIN RECEPTOR (APJ) AGONISTS AND USES THEREOF APLNR, AP1G1, APMAP KMT2A 4000/4885FAAH 473/4885ALDH1A1 3849/4885
US-10100059-B2 Apelin receptor (APJ) agonists and uses thereof APLNR, AP1G1, APMAP KMT2A 4000/4885FAAH 473/4885ALDH1A1 3849/4885
US-11535630-B2 Apelin receptor (APJ) agonists and uses thereof APLNR, AP1G1, APMAP KMT2A 4000/4885FAAH 473/4885ALDH1A1 3849/4885
US-20210070767-A1 APELIN RECEPTOR (APJ) AGONISTS AND USES THEREOF APLNR, AP1G1, APMAP KMT2A 4000/4885FAAH 473/4885ALDH1A1 3849/4885
US-20180265518-A1 APELIN RECEPTOR (APJ) AGONISTS AND USES THEREOF APLNR, AP1G1, APMAP KMT2A 4000/4885FAAH 473/4885ALDH1A1 3849/4885
US-10954247-B2 Apelin receptor (APJ) agonists and uses thereof APLNR, AP1G1, APMAP KMT2A 4000/4885FAAH 473/4885ALDH1A1 3849/4885

“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.