SCHEMBL23325684

SCHEMBL23325684

CC(C)(C)OC(=O)C(N)CC1CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.41
CTSK P43235 2/20 0.41
NR1H2 P55055 1/20 0.36
AAK1 Q2M2I8 1/20 0.36
ANPEP P15144 2/20 0.35
ENPEP Q07075 2/20 0.35
KMT2A Q03164 1/20 0.35
NOS1 P29475 2/20 0.34
NOS3 P29474 1/20 0.34
NOS2 P35228 1/20 0.34
SLC1A3 P43003 2/20 0.33
SLC1A2 P43004 2/20 0.33
SLC1A1 P43005 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
LTA4H P09960 1/20 0.32

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
SCHEMBL5195565 1.00 CTSS (0.41) CTSSCTSKNR1H2AAK1ANPEP
SCHEMBL26805423 0.93 CTSK (0.40) CTSSCTSKAAK1ANPEPSLC1A3
SCHEMBL28764792 0.93 CTSK (0.43) CTSSCTSKAAK1SLC1A3SLC1A2
SCHEMBL20244849 0.91 CTSK (0.45) CTSSCTSKSLC1A3SLC1A2SLC1A1
SCHEMBL22090642 0.91 CTSK (0.45) CTSSCTSKSLC1A3SLC1A2SLC1A1
SCHEMBL19376814 0.91 CTSS (0.36) CTSSCTSKNR1H2AAK1ANPEP
SCHEMBL17643592 0.91 CTSS (0.36) CTSSCTSKNR1H2AAK1ANPEP
SCHEMBL486372 0.89 CPN1 (0.41) CTSSCTSKNR1H2AAK1ANPEP
SCHEMBL18481441 0.87 LMNA (0.37) CTSSCTSKAAK1NOS1NOS3
Hydrochloric Acid SCHEMBL20235918 0.86 LMNA (0.36) CTSSCTSK

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
CN-116685576-A Cysteine protease inhibitors and methods of use thereof 美商帕迪斯生物科学公司 2023-09-01 CN disclosed
US-20220389005-A1 7,8-DIHYDROBENZO[E]PYRIDO[3,4-C]AZOCINE-2,5(3H,6H)-DIONE DERIVATIVES USEFUL AS A FACTOR XIA INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2022-12-08 US disclosed
WO-2021083328-A1 POLYSUBSTITUTED ISOINDOLINE COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF 中国科学院上海药物研究所 2021-05-06 WO disclosed
CN-1227248-C Imidazolidine derivatives, their preparation, and their use as antinflamatory agent AVENTIS PHARMA GMBH (DE) 2005-11-16 CN disclosed
CN-1496360-A Imidazolidine derivatives, their preparation, and their use as antinflamatory agent ������ҽҩ�¹����޹�˾ 2004-05-12 CN 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-20220389005-A1 7,8-DIHYDROBENZO[E]PYRIDO[3,4-C]AZOCINE-2,5(3H,6H)-DIONE DERIVATIVES USEFUL AS A FACTOR XIA INHIBITORS F2, F13B, SERPINE1 CTSS 1445/4885CTSK 466/4885NR1H2 1979/4885

“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.