SCHEMBL22636047

SCHEMBL22636047

O=C(O)[C@@H]1C[C@@H](C(F)(F)F)CN1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 3/20 0.52
▸ CYP1A2 P05177 3/20 0.52
▸ ALOX15 P16050 3/20 0.52
▸ CYP2C19 P33261 3/20 0.52
▸ SLC1A3 P43003 1/20 0.52
▸ SLC1A2 P43004 1/20 0.52
▸ SLC1A1 P43005 1/20 0.52
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ BLM P54132 2/20 0.41
▸ THRB P10828 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ PMP22 Q01453 1/20 0.41
▸ ARG1 P05089 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.33
▸ GRIN2D O15399 1/20 0.33
▸ GRIN3B O60391 1/20 0.33

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
SCHEMBL19000621 1.00 CYP2D6 (0.52) CYP2D6CYP1A2ALOX15CYP2C19SLC1A3
SCHEMBL10481487 1.00 CYP2D6 (0.52) CYP2D6CYP1A2ALOX15CYP2C19SLC1A3
SCHEMBL11055982 1.00 CYP2D6 (0.52) CYP2D6CYP1A2ALOX15CYP2C19SLC1A3
Hydrochloric Acid SCHEMBL22468304 0.98 CYP2D6 (0.50) CYP2D6CYP1A2ALOX15CYP2C19SLC1A3
Hydrochloric Acid SCHEMBL19064801 0.98 CYP2D6 (0.50) CYP2D6CYP1A2ALOX15CYP2C19SLC1A3
SCHEMBL11053721 0.82 CYP2D6 (0.41) CYP2D6CYP1A2ALOX15CYP2C19SLC1A3
SCHEMBL29063223 0.82 CYP1A2 (0.32) CYP2D6CYP1A2ALOX15CYP2C19SLC1A3
SCHEMBL29918541 0.82 CYP1A2 (0.32) CYP2D6CYP1A2ALOX15CYP2C19SLC1A3
Hydrochloric Acid SCHEMBL31376845 0.80 CYP1A2 (0.31) CYP2D6CYP1A2ALOX15CYP2C19SLC1A3
SCHEMBL16056994 0.80 ALOX15 (0.45) CYP2D6CYP1A2ALOX15CYP2C19SLC1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260022111-A1 CELL-PERMEANT COVALENT INHIBITORS OF VIRAL CYSTEINE PROTEASES UNIV LELAND STANFORD JUNIOR (US) 2026-01-22 — — US disclosed
EP-3966226-B1 MASP INHIBITORY COMPOUNDS AND USES THEREOF BAYER AG (DE) 2025-12-24 — — EP disclosed
US-12503491-B2 MASP inhibitory compounds and uses thereof BAYER AKTIENGESELLSCHAFT (DE) 2025-12-23 — — US disclosed
CN-114585637-B MASP-inhibitory compounds and uses thereof 拜耳公司 2025-04-15 — — CN disclosed
CN-114681443-B Nitrile-containing antiviral compounds 辉瑞大药厂 2024-05-10 — — CN disclosed
US-20240124522-A1 MASP INHIBITORY COMPOUNDS AND USES THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2024-04-18 — — US disclosed
CN-116789648-A Nitrile-containing antiviral compounds 辉瑞大药厂 2023-09-22 — — CN disclosed
WO-2023133174-A1 PROTEASE INHIBITORS FOR TREATING OR PREVENTING CORONAVIRUS INFECTION MERCK SHARP & DOHME LLC (US) 2023-07-13 — — WO disclosed
US-11667675-B2 MASP inhibitory compounds and uses thereof BAYER AKTIENGESELLSCHAFT (DE) 2023-06-06 — — US disclosed
US-11667675-B2 MASP inhibitory compounds and uses thereof BAYER AKTIENGESELLSCHAFT (DE) 2023-06-06 — — US disclosed
US-11667675-B2 MASP inhibitory compounds and uses thereof BAYER AKTIENGESELLSCHAFT (DE) 2023-06-06 — — US disclosed
CN-114466838-B Nitrile-containing antiviral compounds 辉瑞大药厂 2023-05-02 — — CN disclosed
CN-114585637-A MASP inhibiting compounds and uses thereof 拜耳公司 2022-06-03 — — CN disclosed
EP-3966226-A1 MASP INHIBITORY COMPOUNDS AND USES THEREOF Bayer Aktiengesellschaft (DE) 2022-03-16 — — EP disclosed
US-20210246166-A1 MASP INHIBITORY COMPOUNDS AND USES THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2021-08-12 — — US disclosed
US-20210246166-A1 MASP INHIBITORY COMPOUNDS AND USES THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2021-08-12 — — US disclosed
WO-2020225095-A1 MASP INHIBITORY COMPOUNDS AND USES THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2020-11-12 — — WO disclosed
WO-2020225095-A1 MASP INHIBITORY COMPOUNDS AND USES THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2020-11-12 — — 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 (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-12503491-B2 MASP inhibitory compounds and uses thereof MASP2, SERPINB1, SPINT2 CYP2D6 4444/4885CYP1A2 4511/4885ALOX15 956/4885
US-11667675-B2 MASP inhibitory compounds and uses thereof MASP2, SERPINB1, SPINT2 CYP2D6 4444/4885CYP1A2 4511/4885ALOX15 956/4885
US-20240124522-A1 MASP INHIBITORY COMPOUNDS AND USES THEREOF MASP2, SERPINB1, SPINT2 CYP2D6 4444/4885CYP1A2 4511/4885ALOX15 956/4885
US-20260022111-A1 CELL-PERMEANT COVALENT INHIBITORS OF VIRAL CYSTEINE PROTEASES ACE2, ACE, TMPRSS2 CYP2D6 538/4885CYP1A2 1848/4885ALOX15 2693/4885
US-20210246166-A1 MASP INHIBITORY COMPOUNDS AND USES THEREOF MASP2, SERPINB1, SPINT2 CYP2D6 4444/4885CYP1A2 4511/4885ALOX15 956/4885

“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.

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