SCHEMBL3673389

SCHEMBL3673389

O=C(O)CCCc1ccccn1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.73
CYP1A2 P05177 2/20 0.73
CYP2C19 P33261 1/20 0.73
HDAC3 O15379 1/20 0.55
MAPK1 P28482 1/20 0.55
ADRA1A P35348 1/20 0.55
HDAC4 P56524 1/20 0.55
SLC6A3 Q01959 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
HDAC9 Q9UKV0 1/20 0.55
HDAC5 Q9UQL6 1/20 0.55
HRH1 P35367 2/20 0.53
ALDH1A1 P00352 2/20 0.53
PTPRA P18433 1/20 0.50

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
SCHEMBL6687222 1.00 SMN1; SMN2 (0.73) SMN1; SMN2CYP1A2CYP2C19HDAC3MAPK1
Hydrochloric Acid SCHEMBL7206845 0.98 SMN1; SMN2 (0.71) SMN1; SMN2CYP1A2CYP2C19HDAC3MAPK1
SCHEMBL2302450 0.95 SMN1; SMN2 (0.66) SMN1; SMN2CYP1A2CYP2C19HDAC3MAPK1
SCHEMBL9237645 0.93 SMN1; SMN2 (0.64) SMN1; SMN2CYP1A2CYP2C19HDAC3HDAC4
SCHEMBL2960008 0.93 SMN1; SMN2 (0.64) SMN1; SMN2CYP1A2CYP2C19HDAC3HDAC4
SCHEMBL29499090 0.89 SMN1; SMN2 (0.62) SMN1; SMN2CYP1A2CYP2C19HRH1ALDH1A1
SCHEMBL333243 0.89 SMN1; SMN2 (0.62) SMN1; SMN2CYP1A2CYP2C19HRH1ALDH1A1
Hydrochloric Acid SCHEMBL4174816 0.87 SMN1; SMN2 (0.60) SMN1; SMN2CYP1A2CYP2C19HRH1ALDH1A1
Hydrochloric Acid SCHEMBL28672925 0.87 SMN1; SMN2 (0.60) SMN1; SMN2CYP1A2CYP2C19HRH1ALDH1A1
SCHEMBL6196923 0.85 SMN1; SMN2 (0.68) SMN1; SMN2CYP1A2CYP2C19MAPK1HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882712-B1 PROCESS FOR PREPARING ACID SALTS OF GAMMA-(PIPERIDYL)BUTYRIC ACID KOEI CHEMICAL CO (JP) 2003-04-23 EP claimed
EP-0790974-B1 SUBSTITUTED 4-BIARYLBUTYRIC OR 5-BIARYLPENTANOIC ACIDS AND DERIVATIVES AS MATRIX METALLOPROTEASE INHIBITIORS BAYER AG (US) 2002-08-14 EP claimed
US-6197961-B1 HYDROGENATION OF G-(PYRIDYL)BUTYRIC ACID SALT IN SOLVENT USING PALLADIUM, RHODIUM, OR RUTHENIUM CATALYST; HYDROLYSIS, DECARBOXYLATION KOEI CHEMICAL CO., LTD. (JP) 2001-03-06 US claimed
EP-0882712-A1 PROCESS FOR PREPARING ACID SALTS OF $g(g)-(PIPERIDYL)BUTYRIC ACID KOEI CHEMICAL CO., LTD. (JP) 1998-12-09 EP claimed
US-20250295652-A1 Inhibitors of Molluscum Contagiosum Infection and Methods Using the Same UNIV PENNSYLVANIA (US) 2025-09-25 US disclosed
US-20250288559-A1 PREP BINDING LIGANDS POLKU THERAPEUTICS OY (FI) 2025-09-18 US disclosed
EP-4514781-A1 PREP BINDING LIGANDS Polku Therapeutics OY (FI) 2025-03-05 EP disclosed
CN-119451944-A PREP binding ligands 珀尔库治疗有限公司 2025-02-14 CN disclosed
CN-118541359-A Inhibitors of molluscum contagiosum infection and methods of use thereof 宾夕法尼亚大学董事会 2024-08-23 CN disclosed
EP-4408833-A1 INHIBITORS OF MOLLUSCUM CONTAGIOSUM INFECTION AND METHODS USING THE SAME The Trustees of The University of Pennsylvania (US) 2024-08-07 EP disclosed
WO-2023209191-A1 PREP BINDING LIGANDS UNIVERSITY OF HELSINKI (FI) 2023-11-02 WO disclosed
WO-2023209191-A1 PREP BINDING LIGANDS UNIVERSITY OF HELSINKI (FI) 2023-11-02 WO disclosed
US-5378840-A Substituted dibenzoxazepine compounds G. D. SEARLE & CO. (US) 1995-01-03 US disclosed
EP-0583421-A1 SUBSTITUTED DIBENZOXAZEPINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE G.D. SEARLE & CO. (US) 1994-02-23 EP disclosed
WO-1992019617-A2 SUBSTITUTED DIBENZOXAZEPINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE G.D. SEARLE & CO. (US) 1992-11-12 WO disclosed
EP-0512400-A1 Substituted dibenzoxazepine compounds, pharmaceutical compositions and methods of use G.D. Searle & Co. (US) 1992-11-11 EP disclosed
EP-0198325-B1 SUBSTITUTED ANILINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1992-07-15 EP disclosed
US-4891429-A CHEMICAL INTERMEDIATES HOFFMANN-LA ROCHE INC. (US) 1990-01-02 US disclosed
US-4696930-A CARDIOVASCULAR DISORDERS, ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1987-09-29 US disclosed
EP-0198325-A2 Substituted aniline derivatives F. HOFFMANN-LA ROCHE AG (CH) 1986-10-22 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 (2 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-20250295652-A1 Inhibitors of Molluscum Contagiosum Infection and Methods Using the Same ITCH, EIF2AK2, TBK1 SMN1; SMN2 3377/4885CYP1A2 4398/4885CYP2C19 4664/4885
US-20250288559-A1 PREP BINDING LIGANDS PREP, ERAP2, CTSA SMN1; SMN2 3319/4885CYP1A2 4179/4885CYP2C19 4800/4885

“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.