SCHEMBL18919620

SCHEMBL18919620

O=C(O)N1CCC(Nc2ccccc2[N+](=O)[O-])C1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.59
HCAR3 P49019 3/20 0.47
NPSR1 Q6W5P4 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MAPT P10636 1/20 0.46
PKM P14618 1/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 3/20 0.45
GAA P10253 1/20 0.45
HTT P42858 1/20 0.44
DCTPP1 Q9H773 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
CASP7 P55210 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL18919621 1.00 MAPK1 (0.59) MAPK1HCAR3NPSR1CYP3A4CYP2C9
SCHEMBL18919619 1.00 MAPK1 (0.59) MAPK1HCAR3NPSR1CYP3A4CYP2C9
SCHEMBL27930420 0.93 MAPK1 (0.54) MAPK1HCAR3NPSR1CYP3A4CYP2C9
SCHEMBL27930419 0.93 MAPK1 (0.54) MAPK1HCAR3NPSR1CYP3A4CYP2C9
SCHEMBL3992139 0.92 MAPK1 (0.65) MAPK1HCAR3NPSR1CYP3A4CYP2C9
SCHEMBL3992132 0.92 MAPK1 (0.65) MAPK1HCAR3NPSR1CYP3A4CYP2C9
SCHEMBL16485856 0.84 HCAR3 (0.53) MAPK1HCAR3NPSR1MAPTPKM
SCHEMBL16407599 0.83 MAPK1 (0.60) MAPK1HCAR3MAPTPKMRAB9A
SCHEMBL29253804 0.83 HCAR3 (0.52) MAPK1HCAR3NPSR1MAPTPKM
SCHEMBL28563880 0.83 BRD4 (0.49) MAPK1MAPTPKMRAB9AALDH1A1

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
US-11091488-B2 1-cyano-pyrrolidine derivatives as inhibitors of USP30 MISSION THERAPEUTICS LIMITED (GB) 2021-08-17 US disclosed
US-20200262838-A1 1-CYANO-PYRROLIDINE DERIVATIVES AS INHIBITORS OF USP30 MISSION THERAPEUTICS LIMITED (GB) 2020-08-20 US disclosed
EP-3383859-B1 1-CYANO-PYRROLIDINE DERIVATIVES AS INHIBITORS OF USP30 MISSION THERAPEUTICS LTD (GB) 2020-04-29 EP disclosed
EP-3383859-A1 1-CYANO-PYRROLIDINE DERIVATIVES AS INHIBITORS OF USP30. Mission Therapeutics Limited (GB) 2018-10-10 EP disclosed
WO-2017093718-A1 1-CYANO-PYRROLIDINE DERIVATIVES AS INHIBITORS OF USP30. MISSION THERAPEUTICS LIMITED (GB) 2017-06-08 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 (2 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-11091488-B2 1-cyano-pyrrolidine derivatives as inhibitors of USP30 USP30, USP1, USP20 MAPK1 1265/4885HCAR3 3317/4885NPSR1 4123/4885
US-20200262838-A1 1-CYANO-PYRROLIDINE DERIVATIVES AS INHIBITORS OF USP30 USP30, USP1, USP20 MAPK1 1265/4885HCAR3 3317/4885NPSR1 4123/4885

“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.