Sugi Predict

Sugi Predict / Compounds / SCHEMBL537769

SCHEMBL537769

SCHEMBL537769

CCC(C)CC(N)CC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA2D1 P54289 2/20 0.41
▸ CACNB3 P54284 1/20 0.41
▸ CACNA1C Q13936 1/20 0.41
▸ PGR P06401 1/20 0.41
▸ ADRA1A P35348 1/20 0.41
▸ HTR2B P41595 1/20 0.41
▸ CACNA2D2 Q9NY47 1/20 0.41
▸ BHMT Q93088 1/20 0.38
▸ SLC1A3 P43003 2/20 0.38
▸ SLC1A2 P43004 2/20 0.38
▸ SLC1A1 P43005 2/20 0.38
▸ GABRP O00591 2/20 0.37
▸ GABRD O14764 2/20 0.37
▸ GABRA1 P14867 2/20 0.37
▸ GABRB1 P18505 2/20 0.37
▸ GABRG2 P18507 2/20 0.37
▸ GABRB3 P28472 2/20 0.37
▸ GABRA5 P31644 2/20 0.37
▸ GABRA3 P34903 2/20 0.37
▸ GABRA2 P47869 2/20 0.37

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
SCHEMBL120181 1.00 CACNA2D1 (0.41) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL13350384 1.00 CACNA2D1 (0.41) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL3961410 1.00 CACNA2D1 (0.41) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL1923711 1.00 CACNA2D1 (0.41) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL5603479 1.00 CACNA2D1 (0.41) CACNA2D1CACNB3CACNA1CPGRADRA1A
Hydrochloric Acid SCHEMBL1199424 0.98 CACNA2D1 (0.39) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL6061178 0.86 BHMT (0.44) CACNA2D1CACNB3CACNA1CPGRADRA1A
Imagabalin SCHEMBL119441 0.83 ALDH1A1 (0.43) CACNA2D1CACNB3CACNA1CPGRADRA1A
Imagabalin SCHEMBL3960412 0.83 ALDH1A1 (0.43) CACNA2D1CACNB3CACNA1CPGRADRA1A
Imagabalin SCHEMBL3961605 0.83 ALDH1A1 (0.43) CACNA2D1CACNB3CACNA1CPGRADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1492761-B1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN WARNER LAMBERT CO (US) 2009-07-22 — — EP claimed
CN-100462351-C Amino acids having affinity for the alpha 2 delta protein WARNER LAMBERT CO (US) 2009-02-18 — — CN claimed
US-20060247282-A1 Methods for using amino acids with affinity for the alpha2delta-protein BRAMSON CANDACE 2006-11-02 — — US claimed
US-7112610-B2 Methods for using amino acids with affinity for the α2δ-protein WARNER-LAMBERT COMPANY LLC (US) 2006-09-26 — — US claimed
CN-115605195-A Methods and compositions for treating cannabis use disorders and alleviating cannabinoid withdrawal 普利欧制药有限公司（US） 2023-01-13 — — CN disclosed
US-20180305341-A1 IMIDAZOLINONE DERIVATIVES AS TRPM8 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2018-10-25 — — US disclosed
CN-108395452-A The prodrug of pyridine keto-amide as sodium channel modulators 沃泰克斯药物股份有限公司 2018-08-14 — — CN disclosed
CN-108164457-A Pyridine keto-amide as sodium channel modulators 沃泰克斯药物股份有限公司 2018-06-15 — — CN disclosed
CN-105814067-B Prodrugs of pyridone amides as sodium channel modulators 沃泰克斯药物股份有限公司 2018-05-18 — — CN disclosed
CN-105026373-B Pyridone amides as sodium channel modulators 沃泰克斯药物股份有限公司 2018-03-30 — — CN disclosed
CN-104968647-B Acid amides as sodium channel modulators 沃泰克斯药物股份有限公司 2018-01-26 — — CN disclosed
CN-105814067-A Prodrugs of pyridone amides as sodium channel modulators 沃泰克斯药物股份有限公司 2016-07-27 — — CN disclosed
US-20050124669-A1 Methods for using amino acids with affinity for the alpha2delta-protein BRAMSON CANDACE (US) 2005-06-09 — — US disclosed
WO-2005030184-A2 THERAPEUTIC BETA AMINOACIDS WARNER-LAMBERT COMPANY LLC (US) 2005-04-07 — — WO disclosed
WO-2005002585-A1 COMBINATION OF AN ALLOSTERIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 AND A LIGAND TO AN ALPHA-2-DELTA RECEPTOR WARNER-LAMBERT COMPANY LLC (US) 2005-01-13 — — WO disclosed
EP-1492761-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN Warner-Lambert Company LLC (US) 2005-01-05 — — EP disclosed
US-20030195251-A1 Amino acids with affinity for the alpha-2-delta-protein BARTA NANCY SUE (US) 2003-10-16 — — US disclosed
WO-2003082807-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN WARNER-LAMBERT COMPANY LLC (US) 2003-10-09 — — WO disclosed
US-4591562-A GENETIC ENGINEERING, INCORPORATING RECOMBINANT PLASMID DNA DERIVEDFROM BACILLUS AJINOMOTO COMPANY INCORPORATED (JP) 1986-05-27 — — US disclosed
EP-0085958-A2 Method for producing l-phenylalanine by fermentation AJINOMOTO CO., INC. (JP) 1983-08-17 — — 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 (4 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-20050124669-A1 Methods for using amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A CACNA2D1 47/4885CACNB3 31/4885CACNA1C 27/4885
US-20030195251-A1 Amino acids with affinity for the alpha-2-delta-protein SCN2A, OPRD1, CAMK2A CACNA2D1 77/4885CACNB3 39/4885CACNA1C 38/4885
US-20180305341-A1 IMIDAZOLINONE DERIVATIVES AS TRPM8 ANTAGONISTS TRPM8, TRPM7, TRPM5 CACNA2D1 647/4885CACNB3 435/4885CACNA1C 304/4885
US-20060247282-A1 Methods for using amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A CACNA2D1 47/4885CACNB3 31/4885CACNA1C 27/4885

“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.