SCHEMBL7981545

SCHEMBL7981545

CNc1ccc(-c2ccccc2)cc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.58
ABCB1 P08183 8/20 0.57
ABCC1 P33527 7/20 0.57
KCNMA1 Q12791 1/20 0.57
CDC25B P30305 1/20 0.56
CRHBP P24387 1/20 0.53
CRHR2 Q13324 1/20 0.53
HTT P42858 1/20 0.51

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
SCHEMBL20494987 0.85 HCAR3 (0.53) HCAR3ABCB1ABCC1KCNMA1CDC25B
SCHEMBL6642291 0.83 ABCB1 (0.57) HCAR3ABCB1ABCC1KCNMA1CRHBP
SCHEMBL12730350 0.83 HCAR3 (0.61) HCAR3ABCB1ABCC1KCNMA1CRHBP
SCHEMBL5159865 0.82 L3MBTL1 (0.68) HCAR3ABCB1ABCC1KCNMA1CRHBP
SCHEMBL2645986 0.81 ABCB1 (0.66) HCAR3ABCB1ABCC1KCNMA1CRHBP
SCHEMBL17457463 0.81 ABCB1 (0.69) HCAR3ABCB1ABCC1KCNMA1CRHBP
SCHEMBL17457465 0.81 ABCB1 (0.69) HCAR3ABCB1ABCC1KCNMA1CRHBP
SCHEMBL11577045 0.80 KCNMA1 (0.56) ABCB1ABCC1KCNMA1CRHBPCRHR2
SCHEMBL22439814 0.79 ABCB1 (0.68) ABCB1ABCC1KCNMA1HTT
SCHEMBL6080692 0.79 ABCB1 (0.59) HCAR3ABCB1ABCC1KCNMA1CRHBP

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
US-11945797-B2 1-cyano-pyrrolidine derivatives as dub inhibitors MISSION THERAPEUTICS LIMITED (GB) 2024-04-02 US disclosed
US-20220177451-A1 1-CYANO-PYRROLIDINE DERIVATIVES AS DUB INHIBITORS MISSION THERAPEUTICS LIMITED (GB) 2022-06-09 US disclosed
US-11352339-B2 1-cyano-pyrrolidine derivatives as DUB inhibitors MISSION THERAPEUTICS LIMITED (GB) 2022-06-07 US disclosed
EP-3433246-B1 1-CYANO-PYRROLIDINE DERIVATIVES AS DBU INHIBITORS MISSION THERAPEUTICS LTD (GB) 2022-05-04 EP disclosed
CN-108884068-B 1-cyano-pyrrolidine derivatives as DUB inhibitors 特殊治疗有限公司 2021-02-26 CN disclosed
US-20200331888-A1 1-CYANO-PYRROLIDINE DERIVATIVES AS DUB INHIBITORS MISSION THERAPEUTICS LIMITED (GB) 2020-10-22 US disclosed
EP-3433246-A1 1-CYANO-PYRROLIDINE DERIVATIVES AS DBU INHIBITORS Mission Therapeutics Limited (GB) 2019-01-30 EP disclosed
WO-2017163078-A1 1-CYANO-PYRROLIDINE DERIVATIVES AS DBU INHIBITORS MISSION THERAPEUTICS LIMITED (GB) 2017-09-28 WO disclosed
WO-2017163078-A1 1-CYANO-PYRROLIDINE DERIVATIVES AS DBU INHIBITORS MISSION THERAPEUTICS LIMITED (GB) 2017-09-28 WO disclosed
US-6200976-B1 FOR TREATING THROMBOSIS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-03-13 US disclosed
US-6114532-A ANTICOAGULANT BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-09-05 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 (4 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-11352339-B2 1-cyano-pyrrolidine derivatives as DUB inhibitors USP30, USP28, USP1 HCAR3 1688/4885ABCB1 1368/4885ABCC1 2078/4885
US-20220177451-A1 1-CYANO-PYRROLIDINE DERIVATIVES AS DUB INHIBITORS USP30, USP28, USP1 HCAR3 1688/4885ABCB1 1368/4885ABCC1 2078/4885
US-11945797-B2 1-cyano-pyrrolidine derivatives as dub inhibitors USP30, USP28, USP1 HCAR3 1688/4885ABCB1 1368/4885ABCC1 2078/4885
US-20200331888-A1 1-CYANO-PYRROLIDINE DERIVATIVES AS DUB INHIBITORS USP30, USP28, USP1 HCAR3 1688/4885ABCB1 1368/4885ABCC1 2078/4885

“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.