SCHEMBL30297976

SCHEMBL30297976

CC(C)(C)OC(=O)Nc1nccc2c1CCC2

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.42
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
CYP17A1 P05093 2/20 0.37
LNPEP Q9UIQ6 2/20 0.37
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
PSMB8 P28062 1/20 0.36
NAMPT P43490 1/20 0.36
METAP1 P53582 1/20 0.36
NLRP3 Q96P20 2/20 0.35
EPHX2 P34913 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OGFRL1 Q5TC84 1/20 0.34

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
SCHEMBL16652047 1.00 ATR (0.42) ATRNPC1RAB9ACYP17A1LNPEP
SCHEMBL16418530 0.83 ATR (0.41) ATRCYP17A1PSMB8NAMPTMETAP1
SCHEMBL30551549 0.83 ATR (0.41) ATRCYP17A1PSMB8NAMPTMETAP1
SCHEMBL5053503 0.77 NOS3 (0.46) NPC1RAB9ALNPEPNOS3NOS1
SCHEMBL21879335 0.76 KCNQ2 (0.43) NPC1RAB9ALNPEPNOS3NOS1
SCHEMBL15264820 0.76 ATR (0.48) ATRNPC1RAB9ACYP17A1PSMB8
SCHEMBL25144741 0.75 ALDH1A1 (0.55)
SCHEMBL28797276 0.74 NLRP3 (0.56) NLRP3
SCHEMBL21401838 0.73 PTPN1 (0.40) NPC1RAB9ALNPEPNOS3NOS1
SCHEMBL22249470 0.73 ATR (0.51) ATRCYP17A1NAMPTMETAP1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12410183-B2 Sars-cov2 main protease inhibitors GILEAD SCIENCES, INC. (US) 2025-09-09 US disclosed
EP-4565574-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2025-06-11 EP disclosed
US-20250049780-A1 THIENOPYRROLE COMPOUNDS GILEAD SCIENCES, INC. 2025-02-13 US disclosed
US-20250042915-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2025-02-06 US disclosed
US-12091420-B2 SARS-COV2 main protease inhibitors GILEAD SCIENCES, INC. (US) 2024-09-17 US disclosed
US-12070455-B2 Thienopyrrole compounds GILEAD SCIENCES, INC. (US) 2024-08-27 US disclosed
US-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2024-07-18 US disclosed
EP-4398989-A1 THIENOPYRROLE COMPOUNDS GILEAD SCIENCES, INC. (US) 2024-07-17 EP disclosed
US-20240116946-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2024-04-11 US disclosed
WO-2024031089-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2024-02-08 WO disclosed
US-20230270734-A1 THIENOPYRROLE COMPOUNDS GILEAD SCIENCES, INC. 2023-08-31 US disclosed
WO-2023039464-A1 THIENOPYRROLE COMPOUNDS GILEAD SCIENCES, INC. (US) 2023-03-16 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 (8 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-20250042915-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE ATR 3672/4885NPC1 848/4885RAB9A 2168/4885
US-12091420-B2 SARS-COV2 main protease inhibitors ACE2, TMPRSS2, ACE ATR 3672/4885NPC1 848/4885RAB9A 2168/4885
US-20230270734-A1 THIENOPYRROLE COMPOUNDS SSB, TPMT, LCP2 ATR 1284/4885NPC1 3660/4885RAB9A 2741/4885
US-20240116946-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE ATR 3672/4885NPC1 848/4885RAB9A 2168/4885
US-20250049780-A1 THIENOPYRROLE COMPOUNDS SSB, TPMT, LCP2 ATR 1284/4885NPC1 3660/4885RAB9A 2741/4885
US-12410183-B2 Sars-cov2 main protease inhibitors ACE2, TMPRSS2, ACE ATR 3672/4885NPC1 848/4885RAB9A 2168/4885
US-12070455-B2 Thienopyrrole compounds SSB, TPMT, LCP2 ATR 1284/4885NPC1 3660/4885RAB9A 2741/4885
US-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE ATR 3672/4885NPC1 848/4885RAB9A 2168/4885

“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.