SCHEMBL288651

SCHEMBL288651

O=C(O)[C@@H]1CCC(=O)N1Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.56
CAPN1 P07384 1/20 0.53
KMT2A Q03164 1/20 0.52
GAA P10253 1/20 0.50
ITGB1 P05556 2/20 0.49
ITGA4 P13612 2/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
TSHR P16473 2/20 0.48
GYS1 P13807 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP3A4 P08684 1/20 0.48
HCRTR1 O43613 1/20 0.48
HCRTR2 O43614 1/20 0.48
ALOX15 P16050 1/20 0.47
OPRL1 P41146 1/20 0.47

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
SCHEMBL289574 1.00 P2RX7 (0.56) P2RX7CAPN1KMT2AGAAITGB1
SCHEMBL288652 1.00 P2RX7 (0.56) P2RX7CAPN1KMT2AGAAITGB1
SCHEMBL1612123 0.91 CAPN1 (0.63) P2RX7CAPN1HCRTR1HCRTR2
SCHEMBL288455 0.91 CAPN1 (0.63) P2RX7CAPN1HCRTR1HCRTR2
SCHEMBL1162700 0.91 P2RX7 (0.54) P2RX7CAPN1KMT2AGAAITGB1
SCHEMBL1162612 0.91 P2RX7 (0.54) P2RX7CAPN1KMT2AGAAITGB1
SCHEMBL28270409 0.91 P2RX7 (0.54) P2RX7CAPN1KMT2AGAAITGB1
SCHEMBL5741011 0.90 KMT2A (0.54) P2RX7CAPN1KMT2AGAAITGB1
SCHEMBL19975206 0.88 P2RX7 (0.54) P2RX7KMT2AGAAALDH1A1HCRTR1
SCHEMBL19975137 0.88 P2RX7 (0.54) P2RX7CAPN1KMT2AGAAITGB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050256104-A1 substituted 1,1,4-1l6-trioxo[1,2]thiazepan-4-ylamide-derived protease inhibitors which inhibit the likes of cathepsin K; treating osteoporosis, osteo- and rheumatoid arthritis and periodontal disease; inhibiting excessive cartilage or matrix degradation SMITHKLINE BEECHAM CORPORATION 2005-11-17 US claimed
EP-1384713-A1 4-amino-azepan-3-one derivatives as protease inhibitors SmithKline Beecham Corporation (US) 2004-01-28 EP claimed
US-20040002487-A1 Protease inhibitors MARQUIS ROBERT WELLS (US) 2004-01-01 US claimed
US-20030225061-A1 Protease inhibitors MARQUIS ROBERT WELLS (US) 2003-12-04 US claimed
US-20030144175-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2003-07-31 US claimed
US-20020147188-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-10-10 US claimed
CN-1350458-A Protease inhibitors SMITHKLINE BEECHAM CORP (US) 2002-05-22 CN claimed
EP-0187052-B1 ADAMANTAN AMINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THEM S.A. PANMEDICA Société dite: (FR) 1990-01-31 EP claimed
US-20230322704-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS, INC. 2023-10-12 US disclosed
WO-2023164680-A1 6-OXODECAHYDROPYRROLO[1,2-A][1,5]DIAZOCINE AND 6-OXODECAHYDRO-4H-PYRROLO[2,1-D][1,5]THIAZOCINE DERIVATIVES AS STAT3 AND STAT6 MODULATORS FOR THE TREATMENT OF CANCER AND INFLAMMATORY CONDITIONS RECLUDIX PHARMA, INC. (US) 2023-08-31 WO disclosed
US-11530191-B2 Compounds and uses thereof for the modulation of hemoglobin GLOBAL BLOOD THERAPEUTICS, INC. (US) 2022-12-20 US disclosed
EP-3919056-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN Global Blood Therapeutics, Inc. (US) 2021-12-08 EP disclosed
EP-2970308-B1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS INC (US) 2021-07-14 EP disclosed
US-10829470-B2 Compounds and uses thereof for the modulation of hemoglobin GLOBAL BLOOD THERAPEUTICS, INC. (US) 2020-11-10 US disclosed
US-4670562-A MEMORY ENHANCEMENT HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1987-06-02 US disclosed
US-4652567-A Benzo(c)-1,5-naphthyridines useful for treating a patient having drug induced memory impairment in need of memory enhancement HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1987-03-24 US disclosed
EP-0197318-A1 Benzo[C]-1,5-naphthyridines, a process and intermediates for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1986-10-15 EP disclosed
EP-0015773-B1 N-(6-((ACYLAMINOACYLAMINO OR AMINOACYLAMINO)PHENYL) 1,2-DIHYDRO-2-OXONICOTINYL)PENICILLIN COMPOUNDS, PROCESSES FOR THEIR PRODUCTION AND COMPOSITIONS CONTAINING THEM WARNER-LAMBERT COMPANY (US) 1983-07-20 EP disclosed
US-4278681-A N-/6-//ACYLAMINOACYLAMINO OR AMINOACYLAMINO/PHENYL/-1,2-DIHYDRO-2-OXONICOTINYL/PENICILLINS WARNER-LAMBERT CO. (US) 1981-07-14 US disclosed
EP-0015773-A2 N-(6-((acylaminoacylamino or aminoacylamino)phenyl) 1,2-dihydro-2-oxonicotinyl)penicillin compounds, processes for their production and compositions containing them WARNER-LAMBERT COMPANY (US) 1980-09-17 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 (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-20230322704-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN HBG2, HBG1, HBB P2RX7 4597/4885CAPN1 2059/4885KMT2A 2167/4885
US-20030225061-A1 Protease inhibitors CTSK, MMP13, CTSZ P2RX7 1179/4885CAPN1 105/4885KMT2A 2920/4885
US-11530191-B2 Compounds and uses thereof for the modulation of hemoglobin HBG2, HBG1, HBB P2RX7 4597/4885CAPN1 2059/4885KMT2A 2167/4885
US-10829470-B2 Compounds and uses thereof for the modulation of hemoglobin HBG2, HBG1, HBB P2RX7 4597/4885CAPN1 2059/4885KMT2A 2167/4885
US-20050256104-A1 substituted 1,1,4-1l6-trioxo[1,2]thiazepan-4-ylamide-derived protease inhibitors which inhibit the likes of cathepsin K; treating osteoporosis, osteo- and rheumatoid arthritis and periodontal disease; inhibiting excessive cartilage or matrix degradation CTSK, CTSZ, CTSE P2RX7 712/4885CAPN1 86/4885KMT2A 2410/4885
US-20020147188-A1 Protease inhibitors CTSK, MMP13, CTSZ P2RX7 1179/4885CAPN1 105/4885KMT2A 2920/4885
US-20040002487-A1 Protease inhibitors CTSK, MMP13, CTSZ P2RX7 1179/4885CAPN1 105/4885KMT2A 2920/4885
US-20030144175-A1 Protease inhibitors CTSK, MMP13, CTSZ P2RX7 1179/4885CAPN1 105/4885KMT2A 2920/4885

“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.