SCHEMBL741444

SCHEMBL741444

CC(C)(C)OC(=O)N1CCc2nc(C(=O)O)sc2C1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.55
GRAMD1A Q96CP6 1/20 0.52
ESR2 Q92731 1/20 0.44
MAPT P10636 3/20 0.44
KDM4E B2RXH2 1/20 0.43
FABP4 P15090 1/20 0.42
FABP5 Q01469 1/20 0.42
GCK P35557 6/20 0.42
NR1H2 P55055 1/20 0.41
P2RX3 P56373 1/20 0.41
GRM5 P41594 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
F10 P00742 1/20 0.40

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
SCHEMBL210375 0.99 ADORA1 (0.54) ADORA1GRAMD1AESR2MAPTKDM4E
SCHEMBL16794209 0.91 ADORA1 (0.47) ADORA1GRAMD1AESR2MAPTKDM4E
SCHEMBL31143542 0.89 ADORA1 (0.51) ADORA1GRAMD1AESR2MAPTKDM4E
SCHEMBL12035965 0.88 ADORA1 (0.46) ADORA1GRAMD1AESR2MAPTKDM4E
SCHEMBL3441645 0.88 GRAMD1A (0.52) ADORA1GRAMD1AMAPTKDM4EGCK
Lithium Ion SCHEMBL210376 0.88 GRAMD1A (0.50) ADORA1GRAMD1AESR2MAPTKDM4E
SCHEMBL17993838 0.87 GRAMD1A (0.53) ADORA1GRAMD1AESR2MAPTKDM4E
SCHEMBL1504298 0.87 ADORA1 (0.45) ADORA1GRAMD1AESR2MAPTKDM4E
SCHEMBL26024092 0.84 GRAMD1A (0.48) ADORA1GRAMD1AESR2MAPTKDM4E
SCHEMBL978537 0.84 ADORA1 (0.59) ADORA1GRAMD1AMAPTKDM4EGCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4665330-A1 PLASMA KALLIKREIN INHIBITORS Merck Sharp & Dohme LLC (US) 2025-12-24 EP disclosed
WO-2024173196-A1 PLASMA KALLIKREIN INHIBITORS MERCK SHARP & DOHME LLC (US) 2024-08-22 WO disclosed
CN-112384500-B Immunomodulator, composition and preparation method thereof 贝达药业股份有限公司 2024-05-14 CN disclosed
CN-111936475-B Immunomodulator, composition and preparation method thereof 贝达药业股份有限公司 2024-05-10 CN disclosed
US-11873309-B2 Heterocyclic compounds as immunomodulators INCYTE CORPORATION (US) 2024-01-16 US disclosed
EP-3596060-B1 NEW BICYCLIC COMPOUNDS AS ATX INHIBITORS HOFFMANN LA ROCHE (CH) 2023-09-20 EP disclosed
EP-4137489-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS Incyte Corporation (US) 2023-02-22 EP disclosed
US-11572356-B2 Biaryl inhibitors of Bruton's tyrosine kinase BIOGEN MA INC. (US) 2023-02-07 US disclosed
CN-109890819-B Heterocyclic compounds as immunomodulators 因赛特公司 2022-11-22 CN disclosed
US-20220332705-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE BIOGEN MA INC. 2022-10-20 US disclosed
US-7192968-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-20 US disclosed
US-7192968-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-20 US disclosed
US-7192968-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-20 US disclosed
US-20060004009-A1 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-01-05 US disclosed
US-20050245565-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-03 US disclosed
US-20050020645-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-01-27 US disclosed
US-20040122063-A1 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-24 US disclosed
EP-1415992-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 EP disclosed
EP-1405852-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-07 EP disclosed
EP-1270557-A1 ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-01-02 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 (7 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-11572356-B2 Biaryl inhibitors of Bruton's tyrosine kinase ABL1, BTK, LYN ADORA1 4562/4885GRAMD1A 3503/4885ESR2 3301/4885
US-20060004009-A1 Ethylenediamine derivatives F2, ECE1, MLLT1 ADORA1 1447/4885GRAMD1A 1049/4885ESR2 129/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R ADORA1 1667/4885GRAMD1A 2556/4885ESR2 1879/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R ADORA1 1667/4885GRAMD1A 2556/4885ESR2 1879/4885
US-11873309-B2 Heterocyclic compounds as immunomodulators CD74, IL2, ICOS ADORA1 1316/4885GRAMD1A 4670/4885ESR2 1345/4885
US-20220332705-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, LYN ADORA1 4562/4885GRAMD1A 3503/4885ESR2 3301/4885
US-20040122063-A1 Ethylenediamine derivatives ECE1, F2, ECE2 ADORA1 1150/4885GRAMD1A 1143/4885ESR2 120/4885

“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.