SCHEMBL29610180

SCHEMBL29610180

CC(C)C[C@H](N)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(N)=O.CS(=O)(=O)O

nearest known ligand 0.49

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 2/20 0.45
▸ CAPN1 P07384 1/20 0.45
▸ CTSB P07858 1/20 0.42
▸ CTSS P25774 1/20 0.42
▸ CTSK P43235 1/20 0.42
▸ CTSF Q9UBX1 1/20 0.42

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
SCHEMBL24486589 0.96 CTSL (0.42) CTSLCAPN1CTSB
SCHEMBL30001755 0.96 CTSL (0.42) CTSLCAPN1CTSB
SCHEMBL24109107 0.96 CTSL (0.42) CTSLCAPN1CTSB
Hydrochloric Acid SCHEMBL30001949 0.94 CTSL (0.42) CTSLCAPN1CTSB
Trifluoroacetic Acid SCHEMBL30002552 0.89 CTSL (0.43) CTSLCAPN1CTSBCTSSCTSK
SCHEMBL23824251 0.86 CTSL (0.43) CTSLCAPN1CTSBCTSSCTSK
SCHEMBL23824248 0.86 CTSL (0.43) CTSLCAPN1CTSBCTSSCTSK
SCHEMBL29609073 0.86 — —
SCHEMBL25761960 0.85 CTSL (0.43) CTSLCAPN1CTSB
SCHEMBL15985646 0.84 CTSL (0.45) CTSLCAPN1CTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250099424-A1 Nitrile-Containing Antiviral Compounds PFIZER INC. (US) 2025-03-27 — — US disclosed
EP-4516301-A2 NITRILE-CONTAINING COMPOUNDS FOR USE AS MEDICAMENTS Pfizer Inc. (US) 2025-03-05 — — EP disclosed
EP-4166539-B1 NITRILE-CONTAINING COMPOUNDS FOR USE AS MEDICAMENTS PFIZER (US) 2024-10-09 — — EP disclosed
US-20230120254-A1 Nitrile-Containing Antiviral Compounds PFIZER INC. (US) 2023-04-20 — — US disclosed
EP-4166539-A1 NITRILE-CONTAINING COMPOUNDS FOR USE AS MEDICAMENTS Pfizer Inc. (US) 2023-04-19 — — EP disclosed
US-11541034-B2 Nitrile-containing antiviral compounds PFIZER INC. (US) 2023-01-03 — — US disclosed
EP-3953330-B1 NITRILE-CONTAINING COMPOUNDS USEFUL AS ANTIVIRAL AGENTS FOR THE TREATMENT OF A CORONAVIRUS INFECTION PFIZER (US) 2022-10-12 — — EP disclosed
US-11452711-B2 Nitrile-containing antiviral compounds PFIZER INC. (US) 2022-09-27 — — US disclosed
US-20220257563-A1 Nitrile-Containing Antiviral Compounds PFIZER INC. (US) 2022-08-18 — — US disclosed
US-11351149-B2 Nitrile-containing antiviral compounds PFIZER INC. (US) 2022-06-07 — — US disclosed
US-20220142976-A1 Nitrile-Containing Antiviral Compounds PFIZER INC. (US) 2022-05-12 — — US 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-20220257563-A1 Nitrile-Containing Antiviral Compounds ACE2, NOS2, EIF2AK2 CTSL 635/4885CAPN1 1185/4885CTSB 657/4885
US-11452711-B2 Nitrile-containing antiviral compounds ACE2, NOS2, EIF2AK2 CTSL 635/4885CAPN1 1185/4885CTSB 657/4885
US-20230120254-A1 Nitrile-Containing Antiviral Compounds ACE2, NOS2, EIF2AK2 CTSL 635/4885CAPN1 1185/4885CTSB 657/4885
US-20250099424-A1 Nitrile-Containing Antiviral Compounds ACE2, NOS2, EIF2AK2 CTSL 635/4885CAPN1 1185/4885CTSB 657/4885
US-20220142976-A1 Nitrile-Containing Antiviral Compounds ACE2, NOS2, EIF2AK2 CTSL 635/4885CAPN1 1185/4885CTSB 657/4885
US-11541034-B2 Nitrile-containing antiviral compounds ACE2, NOS2, EIF2AK2 CTSL 635/4885CAPN1 1185/4885CTSB 657/4885
US-11351149-B2 Nitrile-containing antiviral compounds ACE2, NOS2, EIF2AK2 CTSL 635/4885CAPN1 1185/4885CTSB 657/4885

“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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