SCHEMBL6156416

SCHEMBL6156416

CC(C)C(CN)CC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 2/20 0.50
CACNB3 P54284 1/20 0.50
CACNA1C Q13936 1/20 0.50
PGR P06401 1/20 0.50
ADRA1A P35348 1/20 0.50
HTR2B P41595 1/20 0.50
CACNA2D2 Q9NY47 1/20 0.50
GABRR1 P24046 4/20 0.48
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.40
SLC22A6 Q4U2R8 1/20 0.38
GABBR2 O75899 1/20 0.38
GABBR1 Q9UBS5 1/20 0.38
GLRA1 P23415 1/20 0.36
SLC6A9 P48067 1/20 0.36
OR51E2 Q9H255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GABRP O00591 2/20 0.36
GABRD O14764 2/20 0.36

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
SCHEMBL1913725 0.86 CACNA2D1 (0.47) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL13679358 0.86 CACNA2D1 (0.47) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL29021042 0.86 CACNA2D1 (0.47) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL1913913 0.86 CACNA2D1 (0.47) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL3830765 0.86 CACNA2D1 (0.47) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL8348935 0.86 CACNA2D1 (0.47) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL1913736 0.86 CACNA2D1 (0.47) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL1914043 0.86 CACNA2D1 (0.47) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL5960145 0.84 SMN1; SMN2 (0.48) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL1913657 0.81 CACNA2D1 (0.42) 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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10125104-B2 Carotenoid derivative, pharmaceutically acceptable salt thereof, or pharmaceutically acceptable ester or amide thereof Asta Pharmaceuticals Co., Ltd. (JP) 2018-11-13 US disclosed
US-20170226159-A1 METHOD FOR PRODUCING HYDROPHOBIC PEPTIDE KANEKA CORPORATION (JP) 2017-08-10 US disclosed
EP-3199540-A1 METHOD FOR PRODUCING HYDROPHOBIC PEPTIDE Kaneka Corporation (JP) 2017-08-02 EP disclosed
CN-107001409-A Method for producing hydrophobic peptide 株式会社钟化 2017-08-01 CN disclosed
EP-3147279-A1 CAROTENOID DERIVATIVE, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICALLY ACCEPTABLE ESTER OR AMIDE THEREOF Fuji Chemical Industry Co., Ltd. (JP) 2017-03-29 EP disclosed
US-20170081289-A1 CAROTENOID DERIVATIVE, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, OR PHARMACEUTICALLY ACCEPTABLE ESTER OR AMIDE THEREOF FUJI CHEMICAL INDUSTRIES CO., LTD. (JP) 2017-03-23 US disclosed
US-9302980-B2 Process for producing solid amino acid KANEKA CORPORATION (JP) 2016-04-05 US disclosed
EP-2810933-A1 METHOD FOR PRODUCING SOLID AMINO ACID Kaneka Corporation (JP) 2014-12-10 EP disclosed
US-20140343289-A1 PROCESS FOR PRODUCING SOLID AMINO ACID KANEKA CORPORATION (JP) 2014-11-20 US disclosed
CN-104093699-A Method for producing solid amino acid KANEKA CORP 2014-10-08 CN disclosed
WO-2007101252-A2 TARGETED DELIVERY OF PHARMACEUTICAL COMPOUNDS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2007-09-07 WO disclosed
EP-1499583-A1 PROCESS FOR PREPARING HIGHLY FUNCTIONALIZED Y-BUTYROLACTAMS AND Y-AMINO ACIDS Warner-Lambert Company LLC (US) 2005-01-26 EP disclosed
US-20030236415-A1 Process for preparing highly functionalized gamma-butyrolactams and gamma-amino acids BLAZECKA PETER G (CA) 2003-12-25 US disclosed
US-20030225149-A1 Process for preparing highly functionalized gamma-butyrolactams and gamma-amino acids BLAZECKA PETER G (CA) 2003-12-04 US disclosed
WO-2003093220-A1 PROCESS FOR PREPARING HIGHLY FUNCTIONALIZED Y-BUTYROLACTAMS AND Y-AMINO ACIDS WARNER-LAMBERT COMPANY LLC (US) 2003-11-13 WO 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-20170081289-A1 CAROTENOID DERIVATIVE, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, OR PHARMACEUTICALLY ACCEPTABLE ESTER OR AMIDE THEREOF NR2E3, NR3C2, NR5A1 CACNA2D1 4592/4885CACNB3 2088/4885CACNA1C 3219/4885
US-10125104-B2 Carotenoid derivative, pharmaceutically acceptable salt thereof, or pharmaceutically acceptable ester or amide thereof NR2E3, NR3C2, NR5A1 CACNA2D1 4592/4885CACNB3 2088/4885CACNA1C 3219/4885
US-20030236415-A1 Process for preparing highly functionalized gamma-butyrolactams and gamma-amino acids GABRB2, GABRG2, GABRB1 CACNA2D1 419/4885CACNB3 431/4885CACNA1C 202/4885
US-20030225149-A1 Process for preparing highly functionalized gamma-butyrolactams and gamma-amino acids GABRB2, GABRG2, GABRB1 CACNA2D1 419/4885CACNB3 431/4885CACNA1C 202/4885
US-20170226159-A1 METHOD FOR PRODUCING HYDROPHOBIC PEPTIDE VIP, HM13, HDGF CACNA2D1 3957/4885CACNB3 2884/4885CACNA1C 3477/4885

“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.