SCHEMBL978413

SCHEMBL978413

CCOC(=O)c1cc2ccncc2n1C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOD2 Q9HC29 5/20 0.44
NOD1 Q9Y239 5/20 0.44
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
F10 P00742 2/20 0.38
NR1H2 P55055 3/20 0.37
ELANE P08246 2/20 0.37
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
MMP13 P45452 1/20 0.36
AURKA O14965 1/20 0.36
CDK2 P24941 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
SCHEMBL29900579 1.00 NOD2 (0.44) NOD2NOD1MEN1KMT2AKDM4E
SCHEMBL23092713 0.91 NOD2 (0.44) NOD2NOD1MEN1KMT2AKDM4E
SCHEMBL5951286 0.87 NR1H2 (0.39) KMT2AKDM4ENR1H2GABRG2GABRB3
SCHEMBL29631979 0.87 NR1H2 (0.39) KMT2AKDM4ENR1H2GABRG2GABRB3
SCHEMBL28679819 0.84 NR1H2 (0.38) NR1H2GABRG2GABRB3GABRA5AURKA
SCHEMBL24894603 0.83 NOD2 (0.62) NOD2NOD1MEN1KMT2AKDM4E
SCHEMBL29827958 0.83 NOD2 (0.62) NOD2NOD1MEN1KMT2AKDM4E
SCHEMBL5623839 0.82 NOD2 (0.52) NOD2NOD1MEN1KMT2AKDM4E
SCHEMBL12685162 0.81 NR1H2 (0.39) NR1H2GABRG2GABRB3GABRA5
SCHEMBL13173591 0.81 NOD2 (0.46) NOD2NOD1MEN1KMT2AKDM4E

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4464705-A1 SALT OF ROCK INHIBITOR, CRYSTAL FORM OF SALT, COMPOSITION, AND PHARMACEUTICAL USE Wuhan Createrna Science and Technology Co.,Ltd. (CN) 2024-11-20 EP disclosed
US-20240262792-A1 USP30 INHIBITORS AND USES THEREOF VINCERE BIOSCIENCES, INC. 2024-08-08 US disclosed
US-11845724-B2 USP30 inhibitors and uses thereof VINCERE BIOSCIENCES, INC. (US) 2023-12-19 US disclosed
US-20230257376-A1 ROCK INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO. LTD. (CN) 2023-08-17 US disclosed
US-20230257376-A1 ROCK INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO. LTD. (CN) 2023-08-17 US disclosed
US-20230257376-A1 ROCK INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO. LTD. (CN) 2023-08-17 US disclosed
WO-2023134688-A1 SALT OF ROCK INHIBITOR, CRYSTAL FORM OF SALT, COMPOSITION, AND PHARMACEUTICAL USE 武汉朗来科技发展有限公司 2023-07-20 WO disclosed
WO-2023134688-A1 SALT OF ROCK INHIBITOR, CRYSTAL FORM OF SALT, COMPOSITION, AND PHARMACEUTICAL USE 武汉朗来科技发展有限公司 2023-07-20 WO disclosed
US-20220315531-A1 USP30 INHIBITORS AND USES THEREOF VINCERE BIOSCIENCES, INC. 2022-10-06 US disclosed
EP-4028385-A1 USP30 INHIBITORS AND USES THEREOF Vincere Biosciences, Inc. (US) 2022-07-20 EP disclosed
US-20080146806-A1 Octahydropyrrolo[2,3C]Pyridine Derivatives and Pharmaceutical Use Thereof APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2008-06-19 US disclosed
US-20080146806-A1 Octahydropyrrolo[2,3C]Pyridine Derivatives and Pharmaceutical Use Thereof APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2008-06-19 US disclosed
US-20080146806-A1 Octahydropyrrolo[2,3C]Pyridine Derivatives and Pharmaceutical Use Thereof APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2008-06-19 US disclosed
EP-1768979-A1 OCTAHYDROPYRROLO[2, 3, C]PYRIDINE DERIVATIVES AND PHARMACEUTICAL USE THEREOF Applied Research Systems ARS Holding N.V. (AN) 2007-04-04 EP disclosed
WO-2006008303-A1 OCTAHYDROPYRROLO[2, 3, C]PYRIDINE DERIVATIVES AND PHARMACEUTICAL USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2006-01-26 WO disclosed
WO-2006008303-A1 OCTAHYDROPYRROLO[2, 3, C]PYRIDINE DERIVATIVES AND PHARMACEUTICAL USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2006-01-26 WO disclosed
EP-0186431-B1 ANTI-HYPERTENSIVE OCTAHYDRO-6-AZAINDOLE DIPEPTIDE DERIVATIVES Pfizer Limited (GB) 1988-02-03 EP disclosed
US-4711882-A INHIBITOR OF ANGIOTENSIN CONVERTING ENZYME; HYPOTENSIVE AND CARDIOTONIC AGENTS PFIZER INC. (US) 1987-12-08 US disclosed
CN-85109243-A Method for preparing antihypertensive octahydro-6-azaindole dipeptide derivative 1986-09-17 CN disclosed
EP-0186431-A1 Anti-hypertensive octahydro-6-azaindole dipeptide derivatives Pfizer Limited (GB) 1986-07-02 EP 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 (5 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-20230257376-A1 ROCK INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF ROCK1, ROCK2, RHOT2 NOD2 4306/4885NOD1 3679/4885MEN1 371/4885
US-20080146806-A1 Octahydropyrrolo[2,3C]Pyridine Derivatives and Pharmaceutical Use Thereof PNPO, NLRP3, CHRM3 NOD2 244/4885NOD1 13/4885MEN1 2674/4885
US-11845724-B2 USP30 inhibitors and uses thereof USP30, USP28, USP1 NOD2 2154/4885NOD1 2798/4885MEN1 3722/4885
US-20220315531-A1 USP30 INHIBITORS AND USES THEREOF USP30, USP28, USP1 NOD2 2154/4885NOD1 2798/4885MEN1 3722/4885
US-20240262792-A1 USP30 INHIBITORS AND USES THEREOF USP30, USP28, USP1 NOD2 2154/4885NOD1 2798/4885MEN1 3722/4885

“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.