SCHEMBL19550825

SCHEMBL19550825

CC1(C)CC[C@H](C(=O)NN)O1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
POLB P06746 1/20 0.30
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 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
SCHEMBL19550764 1.00 MAPK1 (0.33) MAPK1NPSR1POLBMEN1GAA
SCHEMBL19550763 1.00 MAPK1 (0.33) MAPK1NPSR1POLBMEN1GAA
SCHEMBL19747687 0.75 MAPK1 (0.31) MAPK1NPSR1
SCHEMBL8003854 0.75 MAPK1 (0.35) MAPK1NPSR1MEN1GAAKMT2A
SCHEMBL8003858 0.75 MAPK1 (0.35) MAPK1NPSR1MEN1GAAKMT2A
SCHEMBL17225276 0.69 CA2 (0.38) MAPK1NPSR1POLB
SCHEMBL8016108 0.69 G6PD (0.32)
SCHEMBL8016106 0.69 G6PD (0.32)
SCHEMBL10651387 0.67
SCHEMBL19550908 0.66

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 11 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
EP-3452466-A1 HETEROCYCLIC TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR Amgen Inc. (US) 2019-03-13 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-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-9988369-B2 Heterocyclic triazole compounds as agonists of the APJ receptor AMGEN INC. (US) 2018-06-05 US disclosed
WO-2017192485-A1 HETEROCYCLIC TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2017-11-09 WO disclosed
US-20170320860-A1 HETEROCYCLIC TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. 2017-11-09 US disclosed
US-20170320860-A1 HETEROCYCLIC TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. 2017-11-09 US disclosed
WO-2017192485-A1 HETEROCYCLIC TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2017-11-09 WO 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 MAPK1 1166/4885NPSR1 169/4885POLB 3795/4885
US-10150760-B2 Compounds for use in preparing heterocyclic triazole agonists of the APJ receptor TBXA2R, APLNR, GPR27 MAPK1 1166/4885NPSR1 169/4885POLB 3795/4885
US-20170320860-A1 HETEROCYCLIC TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR TBXA2R, APLNR, AGTR1 MAPK1 1023/4885NPSR1 224/4885POLB 4457/4885

“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.