SCHEMBL18939342

SCHEMBL18939342

O=C(O)CCCCN1CCCC(F)(F)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.51
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
BDKRB1 P46663 1/20 0.36
SLC6A1 P30531 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
ALOX15 P16050 1/20 0.36
LMNA P02545 2/20 0.35
HRH3 Q9Y5N1 1/20 0.35
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 0.34
PMP22 Q01453 1/20 0.34
POLB P06746 1/20 0.34
FABP4 P15090 1/20 0.34
FABP5 Q01469 1/20 0.34

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
SCHEMBL30854371 0.95 CYP1A2 (0.58) CYP1A2MAPK1SMN1; SMN2BDKRB1SLC6A1
SCHEMBL29466212 0.87 L3MBTL1 (0.44) CYP1A2MAPK1SMN1; SMN2BDKRB1ALDH1A1
SCHEMBL18939597 0.81 SMN1; SMN2 (0.50) MAPK1SMN1; SMN2ALDH1A1
SCHEMBL29568309 0.79 HRH3 (0.36) HRH3
SCHEMBL14979846 0.78 HRH3 (0.34) BDKRB1SLC6A1HRH3PDCD1CD274
SCHEMBL16227821 0.78 HRH3 (0.39) CYP1A2MAPK1SMN1; SMN2SLC6A1HRH3
SCHEMBL19720585 0.77 CYP1A2 (0.53) CYP1A2MAPK1SMN1; SMN2SLC6A1LMNA
SCHEMBL1006987 0.77 L3MBTL1 (0.56) CYP1A2MAPK1SMN1; SMN2BDKRB1SLC6A1
SCHEMBL12635284 0.77 MAPT (0.40) BDKRB1SLC6A1ALDH1A1MAPTHRH3
SCHEMBL1856267 0.77 CYP1A2 (0.83) CYP1A2MAPK1SMN1; SMN2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114507217-A Heterocyclic apelin receptor (APJ) agonists and uses thereof 三角研究所 2022-05-17 CN claimed
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
CN-114507217-A Heterocyclic apelin receptor (APJ) agonists and uses thereof 三角研究所 2022-05-17 CN disclosed
CN-109790151-B Heterocyclic apelin receptor (APJ) agonists and uses thereof 三角研究所 2022-03-29 CN 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 CYP1A2 4586/4885MAPK1 4029/4885SMN1; SMN2 3043/4885
US-10100059-B2 Apelin receptor (APJ) agonists and uses thereof APLNR, AP1G1, APMAP CYP1A2 4586/4885MAPK1 4029/4885SMN1; SMN2 3043/4885
US-11535630-B2 Apelin receptor (APJ) agonists and uses thereof APLNR, AP1G1, APMAP CYP1A2 4586/4885MAPK1 4029/4885SMN1; SMN2 3043/4885
US-20210070767-A1 APELIN RECEPTOR (APJ) AGONISTS AND USES THEREOF APLNR, AP1G1, APMAP CYP1A2 4586/4885MAPK1 4029/4885SMN1; SMN2 3043/4885
US-20180265518-A1 APELIN RECEPTOR (APJ) AGONISTS AND USES THEREOF APLNR, AP1G1, APMAP CYP1A2 4586/4885MAPK1 4029/4885SMN1; SMN2 3043/4885
US-10954247-B2 Apelin receptor (APJ) agonists and uses thereof APLNR, AP1G1, APMAP CYP1A2 4586/4885MAPK1 4029/4885SMN1; SMN2 3043/4885

“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.