SCHEMBL1703944

SCHEMBL1703944

O=C1CCCN1c1ccc(Cl)cc1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.62
MAPT P10636 1/20 0.61
LMNA P02545 3/20 0.58
HTT P42858 1/20 0.58
HPGD P15428 6/20 0.54
AKR1C3 P42330 3/20 0.54
ALOX5 P09917 1/20 0.51
NPC1 O15118 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TSHR P16473 1/20 0.48
TP53 P04637 1/20 0.48
MAPK1 P28482 1/20 0.48
RAB9A P51151 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 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
SCHEMBL29930316 1.00 ALDH1A1 (0.62) ALDH1A1MAPTLMNAHTTHPGD
SCHEMBL2725729 0.94 MAPT (0.59) ALDH1A1MAPTLMNAHTTHPGD
SCHEMBL11142367 0.89 ALDH1A1 (0.74) ALDH1A1HPGDAKR1C3NPC1SMN1; SMN2
SCHEMBL78465 0.82 ALDH1A1 (0.65) ALDH1A1LMNAHPGDAKR1C3NPC1
SCHEMBL7819571 0.82 LMNA (0.51) ALDH1A1MAPTLMNAHTTHPGD
SCHEMBL171739 0.80 ALDH1A1 (0.62) ALDH1A1LMNAHTTHPGDAKR1C3
SCHEMBL14683865 0.80 ALDH1A1 (0.62) ALDH1A1HPGDAKR1C3NPC1SMN1; SMN2
SCHEMBL1656668 0.80 ALDH1A1 (0.68) ALDH1A1HPGDAKR1C3NPC1SMN1; SMN2
SCHEMBL1507158 0.80 ALDH1A1 (0.62) ALDH1A1LMNAHPGDAKR1C3NPC1
SCHEMBL1171241 0.80 ALDH1A1 (0.62) ALDH1A1HPGDAKR1C3NPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11147926-B2 Intrathecal baclofen pharmaceutical dosage forms and related delivery system PIRAMAL CRITICAL CARE, INC. (US) 2021-10-19 US claimed
CN-115043768-A Method for synthesizing N-aryl pyrrolidine-2-ketone by acid-promoted ring opening of cyclopropyl 新乡市润宇新材料科技有限公司 2022-09-13 CN disclosed
EP-3275440-B1 NOVEL OXADIAZOLE DERIVATIVE AND PHARMACEUTICAL CONTAINING SAME NAT CT GERIATRICS & GERONTOLOGY (JP) 2022-05-04 EP disclosed
US-10813900-B2 Baclofen formulations and methods for making same SAOL INTERNATIONAL LIMITED (BM) 2020-10-27 US disclosed
CN-111683932-A Compound with BET inhibition activity, preparation method and application thereof 上海海和药物研究开发有限公司 2020-09-18 CN disclosed
US-20200078327-A1 BACLOFEN FORMULATIONS AND METHODS FOR MAKING SAME SAOL INTERNATIONAL LIMITED (BM) 2020-03-12 US disclosed
US-10420740-B2 Baclofen formulations and methods for making same SAOL INTERNATIONAL LIMITED (BM) 2019-09-24 US disclosed
US-20190054050-A1 BACLOFEN FORMULATIONS AND METHODS FOR MAKING SAME SAOL INTERNATIONAL LIMITED (BM) 2019-02-21 US disclosed
US-10076506-B2 Baclofen formulations and methods for making same SAOL INTERNATIONAL LIMITED (BM) 2018-09-18 US disclosed
US-10071068-B2 Sustained release oral dosage forms of an R-baclofen prodrug XENOPORT, INC. (US) 2018-09-11 US disclosed
WO-2004085047-A2 PRODUCTION OF N-(METHYL-ARYL)-2-LACTAM, N-(METHYLCYCLOAKLYL)-2-LACTAM AND N-ALKYL-2-LACTAM E.I. DUPONT DE NEMOURS AND COMPANY (US) 2004-10-07 WO disclosed
WO-2004085347-A2 PRODUCTION OF N-ARYL-2-LACTAM AND N-ALKYL-2-LACTAM BY REDUCTIVE AMINATION OF LACTONES WITH ARYL AND ALKYL NITRO COMPOUNDS E.I. DUPONT DE NEMOURS AND COMPANY (US) 2004-10-07 WO disclosed
US-20040192936-A1 PRODUCTION OF N-ARYL-2-LACTAM AND N-ALKYL-2-LACTAM BY REDUCTIVE AMINATION OF LACTONES WITH ARYL AND ALKYL NITRO COMPOUNDS E. I. DU PONT DE NEMOURS AND COMPANY 2004-09-30 US disclosed
US-20040192932-A1 Production of N-(methyl aryl)-2-lactam, N-(Methyl cycloalkyl)-2-lactam and N-alkyl-2-lactam by reductive amination of lactones with aryl and alkyl cyano compounds E.I. DU PONT NEMOURS AND COMPANY 2004-09-30 US disclosed
US-20040192937-A1 PRODUCTION OF N-ARYL-2-LACTAM AND N-CYCLOALKYL-2-LACTAM BY REDUCTIVE AMINATION OF LACTONES WITH ARYL AMINES E. I. DU PONT DE NEMOURS AND COMPANY 2004-09-30 US disclosed
EP-0839805-B1 Pyrrolidinone derivatives and their use as antipsychotic medicaments SCHERING AG (DE) 2001-10-04 EP disclosed
US-5969138-A ANTIPSYCHOTIC AGENTS MITSUI CHEMICALS, INC. (JP) 1999-10-19 US disclosed
EP-0839805-A1 Pyrrolidinone derivatives and their use as antipsychotic medicaments MITSUI TOATSU CHEMICALS, INC. (JP) 1998-05-06 EP disclosed
US-5538985-A SIDE EFFECT REDUCTION MITSUI TOATSU CHEMICALS, INC. (JP) 1996-07-23 US disclosed
EP-0668275-A1 Pyrrolidinone derivatives MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1995-08-23 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 (10 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-11147926-B2 Intrathecal baclofen pharmaceutical dosage forms and related delivery system SLC6A11, SLC6A1, GABRB1 ALDH1A1 1614/4885MAPT 806/4885LMNA 1903/4885
US-20190054050-A1 BACLOFEN FORMULATIONS AND METHODS FOR MAKING SAME GABRE, GABRP, PLCB1 ALDH1A1 3778/4885MAPT 1719/4885LMNA 4556/4885
US-10076506-B2 Baclofen formulations and methods for making same GABRE, GABRP, PLCB1 ALDH1A1 3778/4885MAPT 1719/4885LMNA 4556/4885
US-20040192937-A1 PRODUCTION OF N-ARYL-2-LACTAM AND N-CYCLOALKYL-2-LACTAM BY REDUCTIVE AMINATION OF LACTONES WITH ARYL AMINES NIT2, AAAS, ASNS ALDH1A1 1338/4885MAPT 3886/4885LMNA 2071/4885
US-10071068-B2 Sustained release oral dosage forms of an R-baclofen prodrug GABRB2, GABRB3, GABBR2 ALDH1A1 1439/4885MAPT 2583/4885LMNA 4249/4885
US-20200078327-A1 BACLOFEN FORMULATIONS AND METHODS FOR MAKING SAME GABRE, GABRP, PLCB1 ALDH1A1 3778/4885MAPT 1719/4885LMNA 4556/4885
US-10420740-B2 Baclofen formulations and methods for making same GABRE, GABRP, PLCB1 ALDH1A1 3778/4885MAPT 1719/4885LMNA 4556/4885
US-20040192936-A1 PRODUCTION OF N-ARYL-2-LACTAM AND N-ALKYL-2-LACTAM BY REDUCTIVE AMINATION OF LACTONES WITH ARYL AND ALKYL NITRO COMPOUNDS NIT2, NANS, ASNS ALDH1A1 1455/4885MAPT 4252/4885LMNA 2179/4885
US-20040192932-A1 Production of N-(methyl aryl)-2-lactam, N-(Methyl cycloalkyl)-2-lactam and N-alkyl-2-lactam by reductive amination of lactones with aryl and alkyl cyano compounds AAAS, ASNS, NIT2 ALDH1A1 2902/4885MAPT 4535/4885LMNA 1594/4885
US-10813900-B2 Baclofen formulations and methods for making same GABRE, GABRP, PLCB1 ALDH1A1 3778/4885MAPT 1719/4885LMNA 4556/4885

“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.