SCHEMBL18939488

SCHEMBL18939488

CCCC(C(=O)O)N1C(C)CCCC1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.42
SLC6A3 Q01959 9/20 0.38
CHRM1 P11229 1/20 0.38
AKR1A1 P14550 1/20 0.38
CHRM3 P20309 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
ADRA1A P35348 1/20 0.38
HRH1 P35367 1/20 0.38
DRD3 P35462 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SLC6A2 P23975 7/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 2/20 0.35
GLA P06280 1/20 0.35
HPGD P15428 1/20 0.35
RECQL P46063 1/20 0.34
MEN1 O00255 1/20 0.33

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
SCHEMBL11728796 0.85 MEN1 (0.38) ACESMN1; SMN2ALDH1A1GLAHPGD
SCHEMBL28751706 0.79 ALDH1A1 (0.35) ACETDP1SMN1; SMN2ALDH1A1GLA
SCHEMBL18519293 0.74 RECQL (0.36) ACESMN1; SMN2ALDH1A1GLAHPGD
SCHEMBL27822771 0.70 RECQL (0.36) ACEALDH1A1GLAHPGDRECQL
SCHEMBL11009687 0.70 ALDH1A1 (0.33) ACESMN1; SMN2ALDH1A1RECQL
SCHEMBL1856262 0.69 SLC6A3 (0.60) SLC6A3SLC6A2SLC6A4
SCHEMBL30149132 0.69 SLC6A3 (0.56) SLC6A3SLC6A2SLC6A4
SCHEMBL11614824 0.68 SLC6A2 (0.50) SLC6A3HTR2AHRH1SLC6A2ALDH1A1
SCHEMBL11614822 0.68 SLC6A2 (0.50) SLC6A3HTR2AHRH1SLC6A2ALDH1A1
Hydrochloric Acid SCHEMBL18939453 0.68 SLC6A3 (0.58) SLC6A3SLC6A2SLC6A4

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 ACE 2727/4885SLC6A3 3022/4885CHRM1 3021/4885
US-10100059-B2 Apelin receptor (APJ) agonists and uses thereof APLNR, AP1G1, APMAP ACE 2727/4885SLC6A3 3022/4885CHRM1 3021/4885
US-11535630-B2 Apelin receptor (APJ) agonists and uses thereof APLNR, AP1G1, APMAP ACE 2727/4885SLC6A3 3022/4885CHRM1 3021/4885
US-20210070767-A1 APELIN RECEPTOR (APJ) AGONISTS AND USES THEREOF APLNR, AP1G1, APMAP ACE 2727/4885SLC6A3 3022/4885CHRM1 3021/4885
US-20180265518-A1 APELIN RECEPTOR (APJ) AGONISTS AND USES THEREOF APLNR, AP1G1, APMAP ACE 2727/4885SLC6A3 3022/4885CHRM1 3021/4885
US-10954247-B2 Apelin receptor (APJ) agonists and uses thereof APLNR, AP1G1, APMAP ACE 2727/4885SLC6A3 3022/4885CHRM1 3021/4885

“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.