SCHEMBL19550801

SCHEMBL19550801

CN1CCC[C@@H](C(=O)NN)C1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 3/20 0.40
PKM P14618 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
F2R P25116 1/20 0.40
PARP1 P09874 4/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
MAPK1 P28482 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 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
SCHEMBL6582811 1.00 BCHE (0.41) BCHETSHRALDH1A1PKMITGB3
SCHEMBL2600259 1.00 BCHE (0.41) BCHETSHRALDH1A1PKMITGB3
SCHEMBL26971791 0.83 BCHE (0.56) BCHETSHRALDH1A1PKMITGB3
SCHEMBL2600287 0.83 BCHE (0.56) BCHETSHRALDH1A1PKMITGB3
SCHEMBL13045996 0.80 BCHE (0.43) BCHETSHRALDH1A1PKMITGB3
SCHEMBL6991659 0.80 ALDH1A1 (0.42) BCHETSHRALDH1A1PKMITGB3
SCHEMBL3315913 0.80 TSHR (0.62) BCHETSHRITGB3ITGA2BF2R
SCHEMBL2600258 0.79 BCHE (0.39) BCHETSHRALDH1A1PKMITGB3
SCHEMBL20837312 0.79 MAPK8 (0.44) ALDH1A1ITGB3ITGA2BLMNAMAPK1
SCHEMBL13999836 0.79 BCHE (0.62) BCHETSHRALDH1A1ITGB3ITGA2B

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 5 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

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 BCHE 4453/4885TSHR 262/4885ALDH1A1 2981/4885
US-10150760-B2 Compounds for use in preparing heterocyclic triazole agonists of the APJ receptor TBXA2R, APLNR, GPR27 BCHE 4453/4885TSHR 262/4885ALDH1A1 2981/4885
US-20170320860-A1 HETEROCYCLIC TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR TBXA2R, APLNR, AGTR1 BCHE 4679/4885TSHR 225/4885ALDH1A1 2192/4885

“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.