SCHEMBL14520683

SCHEMBL14520683

CC(=O)c1n[nH]c2c1CN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.41
RBP4 P02753 4/20 0.41
MAPK1 P28482 2/20 0.41
ADORA1 P30542 2/20 0.41
NR1H2 P55055 1/20 0.41
CREBBP Q92793 8/20 0.40
EP300 Q09472 7/20 0.40
BRD4 O60885 2/20 0.40
PARP1 P09874 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
PARP2 Q9UGN5 1/20 0.38

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
SCHEMBL17878107 0.90 MAPK1 (0.42) ESR2RBP4MAPK1ADORA1NR1H2
SCHEMBL4792110 0.90 ADORA1 (0.46) ESR2RBP4MAPK1ADORA1NR1H2
SCHEMBL25430237 0.89 ADORA1 (0.43) ESR2RBP4MAPK1ADORA1NR1H2
SCHEMBL29386147 0.86 RBP4 (0.42) ESR2RBP4MAPK1ADORA1NR1H2
SCHEMBL17870541 0.85 RBP4 (0.39) ESR2RBP4MAPK1ADORA1NR1H2
SCHEMBL4761427 0.84 ADORA1 (0.51) ESR2RBP4ADORA1NR1H2CREBBP
SCHEMBL4761735 0.84 RBP4 (0.42) ESR2RBP4MAPK1ADORA1NR1H2
SCHEMBL17870535 0.84 RBP4 (0.39) ESR2RBP4MAPK1ADORA1NR1H2
SCHEMBL17868654 0.84 ESR2 (0.46) ESR2MAPK1ADORA1NR1H2CREBBP
SCHEMBL10296218 0.84 ESR2 (0.43) ESR2MAPK1ADORA1NR1H2CREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020198583-A1 BICYCLIC JAK INHIBITORS AND USES THEREOF INSILICO MEDICINE IP LIMITED (CN) 2020-10-01 WO disclosed
US-20070093515-A1 Phosphodiesterase 10 inhibitors AMGEN INC. 2007-04-26 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 (1 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-20070093515-A1 Phosphodiesterase 10 inhibitors PDE7A, PDE12, PDE10A ESR2 4207/4885RBP4 1377/4885MAPK1 2708/4885

“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.