SCHEMBL12896244

SCHEMBL12896244

CC(C)C[C@H](CNC(=O)OC(C)(C)C)CC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.49
CTSK P43235 4/20 0.49
CTSL P07711 2/20 0.49
CTSB P07858 1/20 0.49
CACNA2D1 P54289 2/20 0.46
CACNB3 P54284 1/20 0.46
CACNA1C Q13936 1/20 0.46
PGR P06401 1/20 0.46
ADRA1A P35348 1/20 0.46
HTR2B P41595 1/20 0.46
CACNA2D2 Q9NY47 1/20 0.46
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
AAK1 Q2M2I8 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CAPN1 P07384 1/20 0.40
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL1047904 1.00 CTSS (0.49) CTSSCTSKCTSLCTSBCACNA2D1
SCHEMBL31072227 0.89 MEN1 (0.49) CTSSCTSKCTSLCTSBMEN1
SCHEMBL13906658 0.89 MEN1 (0.49) CTSSCTSKCTSLCTSBMEN1
SCHEMBL14570838 0.86 CTSL (0.45) CTSSCTSKCTSLCTSBMEN1
SCHEMBL598582 0.85 CACNA2D1 (0.41) CTSSCTSKCTSLCTSBCACNA2D1
SCHEMBL4267167 0.85 CACNA2D1 (0.41) CTSSCTSKCTSLCTSBCACNA2D1
SCHEMBL4261503 0.84 CACNA2D1 (0.41) CTSSCTSKCTSLCTSBCACNA2D1
SCHEMBL4258214 0.84 CACNA2D1 (0.41) CTSSCTSKCTSLCTSBCACNA2D1
SCHEMBL599577 0.84 CACNA2D1 (0.41) CTSSCTSKCTSLCTSBCACNA2D1
SCHEMBL597356 0.84 CACNA2D1 (0.41) CTSSCTSKCTSLCTSBCACNA2D1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120131636-A Twin medicine and composition and application thereof 江苏海洋大学 2025-06-13 CN disclosed
CN-120025292-A Compound with synergistic analgesic effect, pharmaceutical composition, preparation method and application thereof 江苏海洋大学 2025-05-23 CN disclosed
CN-116585298-A Coupling medicine, composition and application thereof 江苏海洋大学 2023-08-15 CN disclosed
US-11703514-B2 Pregabalin immunoassays ARK DIAGNOSTICS, INC. (US) 2023-07-18 US disclosed
CN-115677507-A Flurbiprofen derivative and application thereof in medicines 天地恒一制药股份有限公司 2023-02-03 CN disclosed
EP-3761036-A1 PREGABALIN IMMUNOASSAYS ARK Diagnostics, Inc. (US) 2021-01-06 EP disclosed
US-20200341016-A1 Pregabalin Immunoassays ARES CAPITAL CORPORATION, AS ADMINISTRATIVE AGENT 2020-10-29 US disclosed
EP-3265074-B1 PREGABALIN IMMUNOASSAYS ARK DIAGNOSTICS INC (US) 2020-08-12 EP disclosed
US-10690687-B2 Pregabalin immunoassays ARK DIAGNOSTICS, INC. (US) 2020-06-23 US disclosed
US-9958464-B2 Pregabalin immunoassays ARK DIAGNOSTICS, INC. (US) 2018-05-01 US disclosed
US-9422230-B2 Process for the preparation of an anticonvulsant agent pregabalin hydrochloride COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2016-08-23 US disclosed
US-20160122289-A1 PROCESS FOR THE PREPARATION OF AN ANTICONVULSANT AGENT PREGABALIN HYDROCHLORIDE COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2016-05-05 US disclosed
US-20160122289-A1 PROCESS FOR THE PREPARATION OF AN ANTICONVULSANT AGENT PREGABALIN HYDROCHLORIDE COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2016-05-05 US disclosed
US-20160122289-A1 PROCESS FOR THE PREPARATION OF AN ANTICONVULSANT AGENT PREGABALIN HYDROCHLORIDE COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2016-05-05 US disclosed
WO-2012161798-A1 FATTY ACID GAMMA AMINOBUTYRIC ACID (GABA) CONJUGATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2012-11-29 WO disclosed
US-7879906-B2 3-Aminomethyl-5-methyl-hexanoic acid 1-ethyloxycarbonyloxy-ethyl ester; epilepsy, depression, anxiety, psychosis, faintness attacks, hypokinesia, cranial disorders, neurodegenerative disorders, panic, pain ANCHEN LABORATORIES, INC. (US) 2011-02-01 US disclosed
US-7879906-B2 3-Aminomethyl-5-methyl-hexanoic acid 1-ethyloxycarbonyloxy-ethyl ester; epilepsy, depression, anxiety, psychosis, faintness attacks, hypokinesia, cranial disorders, neurodegenerative disorders, panic, pain ANCHEN LABORATORIES, INC. (US) 2011-02-01 US disclosed
WO-2009118580-A2 GABA ANALOGS, COMPOSITIONS, AND METHODS FOR MANUFACTURING THEREOF ANCHEN LABORATORIES, INC (US) 2009-10-01 WO disclosed
US-20080125483-A1 GABA ANALOGS, COMPOSITIONS AND METHODS FOR MANUFACTURING THEREOF TWI BIOTECHNOLOGY, INC. (TW) 2008-05-29 US disclosed
US-20080125483-A1 GABA ANALOGS, COMPOSITIONS AND METHODS FOR MANUFACTURING THEREOF TWI BIOTECHNOLOGY, INC. (TW) 2008-05-29 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 (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-10690687-B2 Pregabalin immunoassays GABRG3, GABRG1, GABRB2 CTSS 4113/4885CTSK 4206/4885CTSL 3122/4885
US-20200341016-A1 Pregabalin Immunoassays GABRG3, GABRG1, GABRB2 CTSS 4113/4885CTSK 4206/4885CTSL 3122/4885
US-20160122289-A1 PROCESS FOR THE PREPARATION OF AN ANTICONVULSANT AGENT PREGABALIN HYDROCHLORIDE GABRE, GABRG1, GABRB2 CTSS 3764/4885CTSK 4050/4885CTSL 3484/4885
US-11703514-B2 Pregabalin immunoassays GABRG3, GABRG1, GABRB2 CTSS 4113/4885CTSK 4206/4885CTSL 3122/4885
US-20080125483-A1 GABA ANALOGS, COMPOSITIONS AND METHODS FOR MANUFACTURING THEREOF GABRB1, GABRA5, GABRA1 CTSS 3626/4885CTSK 3171/4885CTSL 4287/4885

“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.