SCHEMBL1116709

SCHEMBL1116709

CC(C)CC(O)C[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 2/20 0.55
ALDH1A1 P00352 3/20 0.35
TSHR P16473 1/20 0.33
KISS1R Q969F8 2/20 0.31
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
RNPEP Q9H4A4 1/20 0.30
SLC7A5 Q01650 1/20 0.30

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
Nitric Acid SCHEMBL8587449 0.96 CPA1 (0.52) CPA1ALDH1A1TSHR
SCHEMBL11875036 0.84 CPA1 (0.44) CPA1ALDH1A1TSHR
SCHEMBL5467078 0.79 ALDH1A1 (0.41) CPA1ALDH1A1TSHRKDM4EMAPT
SCHEMBL3789231 0.77 CPA1 (0.52) CPA1ALDH1A1TSHR
SCHEMBL6578335 0.76 CPA1 (0.37) CPA1ALDH1A1KDM4EMAPT
SCHEMBL8587453 0.76 CPA1 (0.38) CPA1ALDH1A1
SCHEMBL18463625 0.75 CPA1 (0.54) CPA1TSHR
SCHEMBL5356077 0.75
SCHEMBL6927866 0.74
SCHEMBL9115533 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110190393-A1 NOVEL AND EFFICIENT METHOD FOR THE SYNTHESIS OF AN AMINO ACID GENERICS (UK) LIMITED (GB) 2011-08-04 US claimed
CN-102112436-A Novel and efficient method for synthesis of amino acid GENERICS UK LTD 2011-06-29 CN claimed
EP-2280930-A1 A NOVEL AND EFFICIENT METHOD FOR THE SYNTHESIS OF AN AMINO ACID Generics [UK] Limited (GB) 2011-02-09 EP claimed
WO-2009147434-A1 A NOVEL AND EFFICIENT METHOD FOR THE SYNTHESIS OF AN AMINO ACID GENERICS [UK] LIMITED (GB) 2009-12-10 WO claimed
WO-2009087650-A2 A NOVEL PROCESS FOR SYNTHESIS OF PREGABALIN FROM SUBSTITUTED CYCLOPROPANE INTERMEDIATE AND A PROCESS FOR ENZYMATIC RESOLUTION OF RACEMIC PREGABALIN V.B. MEDICARE PVT. LTD. (IN) 2009-07-16 WO claimed
EP-3154930-B1 METHOD FOR THE PREPARATION OF BETA-SUBSTITUTED GAMMA-AMINO CARBOXYLIC ACIDS SIEGFRIED LTD (CH) 2018-04-18 EP disclosed
US-9745249-B2 Method for the preparation of beta-substituted gamma-amino carboxylic acids SIEGFRIED LTD. (CH) 2017-08-29 US disclosed
US-20170114003-A1 METHOD FOR THE PREPARATION OF BETA-SUBSTITUTED GAMMA-AMINO CARBOXYLIC ACIDS SIEGFRIED LTD. (CH) 2017-04-27 US disclosed
EP-3154930-A1 METHOD FOR THE PREPARATION OF BETA-SUBSTITUTED GAMMA-AMINO CARBOXYLIC ACIDS Siegfried Ltd. (CH) 2017-04-19 EP disclosed
WO-2015189068-A1 METHOD FOR THE PREPARATION OF BETA-SUBSTITUTED GAMMA-AMINO CARBOXYLIC ACIDS SIEGFRIED LTD. (CH) 2015-12-17 WO disclosed
US-20110245508-A1 Processes For Making Pregabalin And Intermediates Therefor THIJS LAMBERTUS 2011-10-06 US disclosed
US-20110245508-A1 Processes For Making Pregabalin And Intermediates Therefor THIJS LAMBERTUS 2011-10-06 US disclosed
WO-2009147434-A1 A NOVEL AND EFFICIENT METHOD FOR THE SYNTHESIS OF AN AMINO ACID GENERICS [UK] LIMITED (GB) 2009-12-10 WO disclosed
WO-2009147434-A1 A NOVEL AND EFFICIENT METHOD FOR THE SYNTHESIS OF AN AMINO ACID GENERICS [UK] LIMITED (GB) 2009-12-10 WO disclosed
WO-2009087650-A3 A NOVEL PROCESS FOR SYNTHESIS OF PREGABALIN FROM SUBSTITUTED CYCLOPROPANE INTERMEDIATE AND A PROCESS FOR ENZYMATIC RESOLUTION OF RACEMIC PREGABALIN V.B. MEDICARE PVT. LTD. (IN) 2009-10-15 WO disclosed
WO-2009087650-A2 A NOVEL PROCESS FOR SYNTHESIS OF PREGABALIN FROM SUBSTITUTED CYCLOPROPANE INTERMEDIATE AND A PROCESS FOR ENZYMATIC RESOLUTION OF RACEMIC PREGABALIN V.B. MEDICARE PVT. LTD. (IN) 2009-07-16 WO disclosed
WO-2009087650-A2 A NOVEL PROCESS FOR SYNTHESIS OF PREGABALIN FROM SUBSTITUTED CYCLOPROPANE INTERMEDIATE AND A PROCESS FOR ENZYMATIC RESOLUTION OF RACEMIC PREGABALIN V.B. MEDICARE PVT. LTD. (IN) 2009-07-16 WO disclosed
US-7495017-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2009-02-24 US disclosed
US-20070203197-A1 Phosphodiesterase 4 inhibitors HOPPER ALLEN 2007-08-30 US disclosed
WO-1996026933-A9 NOVEL SELECTIVE INHIBITORS OF VIRAL OR BACTERIAL NEURAMINIDASES 1996-11-28 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 (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-20110190393-A1 NOVEL AND EFFICIENT METHOD FOR THE SYNTHESIS OF AN AMINO ACID GLUL, GRIK5, GABRE CPA1 2592/4885ALDH1A1 1509/4885TSHR 3771/4885
US-20170114003-A1 METHOD FOR THE PREPARATION OF BETA-SUBSTITUTED GAMMA-AMINO CARBOXYLIC ACIDS GLUL, GABRB2, GABRB1 CPA1 2759/4885ALDH1A1 513/4885TSHR 4275/4885
US-20070203197-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE4B, PDE12 CPA1 1654/4885ALDH1A1 515/4885TSHR 2407/4885
US-20110245508-A1 Processes For Making Pregabalin And Intermediates Therefor GABRB2, GABRB1, GABRB3 CPA1 3552/4885ALDH1A1 510/4885TSHR 3615/4885

“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.