Sugi Predict

Sugi Predict / Compounds / SCHEMBL10054693

SCHEMBL10054693

SCHEMBL10054693

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA2D1 P54289 2/20 0.69
▸ CACNA1C Q13936 2/20 0.69
▸ CACNB3 P54284 1/20 0.69
▸ PGR P06401 1/20 0.69
▸ ADRA1A P35348 1/20 0.69
▸ HTR2B P41595 1/20 0.69
▸ CACNA2D2 Q9NY47 1/20 0.69
▸ ALDH1A1 P00352 3/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ SLC7A5 Q01650 1/20 0.38
▸ RNPEP Q9H4A4 1/20 0.33
▸ SLC1A3 P43003 1/20 0.33
▸ SLC1A2 P43004 1/20 0.33
▸ LAP3 P28838 4/20 0.32
▸ ANPEP P15144 3/20 0.32
▸ ERAP1 Q9NZ08 1/20 0.32
▸ CACNA1G O43497 1/20 0.32
▸ CACNA1H O95180 1/20 0.32
▸ CACNA1B Q00975 1/20 0.32
▸ CA2 P00918 1/20 0.31

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
SCHEMBL10013283 1.00 CACNA2D1 (0.69) CACNA2D1CACNA1CCACNB3PGRADRA1A
SCHEMBL17278430 1.00 CACNA2D1 (0.69) CACNA2D1CACNA1CCACNB3PGRADRA1A
SCHEMBL18100236 0.85 ALDH1A1 (0.60) CACNA2D1CACNA1CCACNB3PGRADRA1A
SCHEMBL13382791 0.85 ALDH1A1 (0.60) CACNA2D1CACNA1CCACNB3PGRADRA1A
SCHEMBL12081863 0.83 — —
Pregabalin SCHEMBL15497 0.82 CACNA2D1 (1.00) CACNA2D1CACNA1CCACNB3PGRADRA1A
Pregabalin SCHEMBL1561104 0.82 CACNA2D1 (1.00) CACNA2D1CACNA1CCACNB3PGRADRA1A
Pregabalin SCHEMBL263450 0.82 CACNA2D1 (1.00) CACNA2D1CACNA1CCACNB3PGRADRA1A
Pregabalin SCHEMBL2370227 0.82 CACNA2D1 (1.00) CACNA2D1CACNA1CCACNB3PGRADRA1A
SCHEMBL2693051 0.82 CACNA2D1 (0.69) CACNA2D1CACNA1CCACNB3PGRADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3761036-A1 PREGABALIN IMMUNOASSAYS ARK Diagnostics, Inc. (US) 2021-01-06 — — EP disclosed
EP-3265074-B1 PREGABALIN IMMUNOASSAYS ARK DIAGNOSTICS INC (US) 2020-08-12 — — EP disclosed
US-20180134714-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS CASE WESTERN RESERVE UNIVERSITY 2018-05-17 — — US disclosed
US-20140357611-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR NIH 2014-12-04 — — US disclosed
US-20140315790-A1 AMINOTHIAZOLES AND THEIR USES BUSHELL SIMON (US) 2014-10-23 — — US disclosed
US-8722669-B2 Compounds and methods of treating ocular disorders CASE WESTERN RESERVE UNIVERSITY (US) 2014-05-13 — — US disclosed
US-20130252883-A1 Macrocycles and Their Uses NOVARTIS AG (CH) 2013-09-26 — — US disclosed
US-8476224-B2 Macrocycles and their uses NOVARTIS AG (US) 2013-07-02 — — US disclosed
US-20120295895-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-11-22 — — US disclosed
US-20120220799-A1 NOVEL PROCESS GENERICS [UK] LIMITED (GB) 2012-08-30 — — US disclosed
US-20090069578-A1 Novel asymmetric synthesis of (S)-(+)-3-(aminomethyl)-5-methylhexanoic acid KANSAL VINOD KUMAR 2009-03-12 — — US disclosed
US-20090069596-A1 Novel asymmetric synthesis of (S)-(+)-3-(aminomethyl)-5-methylhexanoic acid KANSAL VINOD KUMAR 2009-03-12 — — US disclosed
US-20090062562-A1 Novel asymmetric synthesis of (S)-(+)-3-(Aminomethyl)-5-methylhexanoic acid KANSAL VINOD KUMAR 2009-03-05 — — US disclosed
US-7470812-B2 Chiral 3-carbamoylmethyl-5-methyl hexanoic acids, key intermediates for the synthesis of (S)-Pregabalin TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2008-12-30 — — US disclosed
US-7465826-B2 Chiral 3-carbamoylmethyl-5-methyl hexanoic acids, key intermediates for the synthesis of (S)-pregabalin TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2008-12-16 — — US disclosed
US-7446220-B2 Asymmetric synthesis of (S)-(+)-3-(aminomethyl)-5-methylhexanoic acid TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2008-11-04 — — US disclosed
US-20080051602-A1 Chiral 3-carbamoylmethyl-5-methyl hexanoic acids, key intermediates for the synthesis of (S)-Pregabalin KANSAL VINOD K 2008-02-28 — — US disclosed
US-20070197827-A1 Novel asymmetric synthesis of (S)-(+)-3-(aminomethyl)-5-methylhexanoic acid TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2007-08-23 — — US disclosed
US-20070191636-A1 Chiral 3-carbamoylmethyl-5-methyl hexanoic acids, key intermediates for the synthesis of (S)-Pregabalin TEVA PHARMACEUTICAL USA, INC. 2007-08-16 — — US disclosed
US-20070073085-A1 Method for the preparation of pregabalin and salts thereof TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2007-03-29 — — 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 (13 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-20130252883-A1 Macrocycles and Their Uses MRPL21, CLPP, MLEC CACNA2D1 4768/4885CACNA1C 3892/4885CACNB3 3228/4885
US-20070197827-A1 Novel asymmetric synthesis of (S)-(+)-3-(aminomethyl)-5-methylhexanoic acid RIMKLA, COASY, GABRE CACNA2D1 440/4885CACNA1C 228/4885CACNB3 179/4885
US-20120220799-A1 NOVEL PROCESS GABRB2, GABRB1, GABRE CACNA2D1 174/4885CACNA1C 69/4885CACNB3 92/4885
US-20120295895-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS ALDH1A2, NR2E3, LRAT CACNA2D1 4464/4885CACNA1C 3394/4885CACNB3 2558/4885
US-20090069596-A1 Novel asymmetric synthesis of (S)-(+)-3-(aminomethyl)-5-methylhexanoic acid RIMKLA, COASY, GABRE CACNA2D1 440/4885CACNA1C 228/4885CACNB3 179/4885
US-20070073085-A1 Method for the preparation of pregabalin and salts thereof GABRG1, GABRG2, GABRG3 CACNA2D1 127/4885CACNA1C 26/4885CACNB3 32/4885
US-20140357611-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS ALDH1A2, TYR, HRH2 CACNA2D1 3338/4885CACNA1C 2017/4885CACNB3 1507/4885
US-20080051602-A1 Chiral 3-carbamoylmethyl-5-methyl hexanoic acids, key intermediates for the synthesis of (S)-Pregabalin GABRE, GABRA5, GABRA6 CACNA2D1 219/4885CACNA1C 86/4885CACNB3 190/4885
US-20140315790-A1 AMINOTHIAZOLES AND THEIR USES ABAT, AADAT, GOT2 CACNA2D1 3063/4885CACNA1C 2125/4885CACNB3 1250/4885
US-20180134714-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS ALDH1A2, NR2E3, LRAT CACNA2D1 4464/4885CACNA1C 3394/4885CACNB3 2558/4885
US-20090062562-A1 Novel asymmetric synthesis of (S)-(+)-3-(Aminomethyl)-5-methylhexanoic acid RIMKLA, COASY, GABRE CACNA2D1 440/4885CACNA1C 228/4885CACNB3 179/4885
US-20090069578-A1 Novel asymmetric synthesis of (S)-(+)-3-(aminomethyl)-5-methylhexanoic acid RIMKLA, COASY, GABRE CACNA2D1 440/4885CACNA1C 228/4885CACNB3 179/4885
US-20070191636-A1 Chiral 3-carbamoylmethyl-5-methyl hexanoic acids, key intermediates for the synthesis of (S)-Pregabalin GABRE, GABRA5, GABRA6 CACNA2D1 219/4885CACNA1C 86/4885CACNB3 190/4885

“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.