SCHEMBL19550898

SCHEMBL19550898

NNC(=O)C1COCCO1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
NAMPT P43490 1/20 0.31
ABL1 P00519 1/20 0.30

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
SCHEMBL19550989 1.00 POLB (0.35) POLBSLC6A2SLC6A4NAMPTABL1
SCHEMBL19551033 1.00 POLB (0.35) POLBSLC6A2SLC6A4NAMPTABL1
SCHEMBL18101277 0.98 POLB (0.34) POLBSLC6A2SLC6A4NAMPT
Hydrochloric Acid SCHEMBL19551066 0.98 POLB (0.34) POLBSLC6A2SLC6A4NAMPT
Hydrochloric Acid SCHEMBL19551065 0.98 POLB (0.34) POLBSLC6A2SLC6A4NAMPT
SCHEMBL18101257 0.98 POLB (0.34) POLBSLC6A2SLC6A4NAMPT
SCHEMBL18101224 0.98 POLB (0.34) POLBSLC6A2SLC6A4NAMPT
SCHEMBL18122009 0.98 POLB (0.34) POLBSLC6A2SLC6A4NAMPT
SCHEMBL18101223 0.98 POLB (0.34) POLBSLC6A2SLC6A4NAMPT
SCHEMBL9815476 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3452466-B1 HETEROCYCLIC TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC (US) 2020-08-12 EP disclosed
US-10150760-B2 Compounds for use in preparing heterocyclic triazole agonists of the APJ receptor AMGEN INC. (US) 2018-12-11 US disclosed
US-20180222895-A1 COMPOUNDS FOR USE IN PREPARING HETEROCYCLIC TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC. 2018-08-09 US disclosed
US-9988369-B2 Heterocyclic triazole compounds as agonists of the APJ receptor AMGEN INC. (US) 2018-06-05 US disclosed
US-20170320860-A1 HETEROCYCLIC TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. 2017-11-09 US disclosed
CN-101133072-B Hydrogels for controlled release of bioactive materials FIRMENICH & CIE 2012-05-30 CN disclosed
CN-101133072-A Hydrogels for controlled release of bioactive materials FIRMENICH & CIE (CH) 2008-02-27 CN 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-20180222895-A1 COMPOUNDS FOR USE IN PREPARING HETEROCYCLIC TRIAZOLE AGONISTS OF THE APJ RECEPTOR TBXA2R, APLNR, GPR27 POLB 3795/4885SLC6A2 1904/4885SLC6A4 2239/4885
US-10150760-B2 Compounds for use in preparing heterocyclic triazole agonists of the APJ receptor TBXA2R, APLNR, GPR27 POLB 3795/4885SLC6A2 1904/4885SLC6A4 2239/4885
US-20170320860-A1 HETEROCYCLIC TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR TBXA2R, APLNR, AGTR1 POLB 4457/4885SLC6A2 2975/4885SLC6A4 3184/4885

“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.