Sugi Predict

Sugi Predict / Compounds / SCHEMBL16576

SCHEMBL16576

SCHEMBL16576

CC(C)C[C@H](C#N)CC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CACNA2D1 P54289 2/20 0.45
▸ CACNB3 P54284 1/20 0.45
▸ CACNA1C Q13936 1/20 0.45
▸ PGR P06401 1/20 0.45
▸ ADRA1A P35348 1/20 0.45
▸ HTR2B P41595 1/20 0.45
▸ CACNA2D2 Q9NY47 1/20 0.45
▸ RNPEP Q9H4A4 1/20 0.37
▸ SLC7A5 Q01650 1/20 0.37
▸ MME P08473 2/20 0.36
▸ CTSS P25774 4/20 0.33
▸ CTSK P43235 4/20 0.33
▸ SLC22A6 Q4U2R8 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ SLC1A3 P43003 1/20 0.32
▸ SLC1A2 P43004 1/20 0.32
▸ TDP1 Q9NUW8 2/20 0.32
▸ CTSL P07711 2/20 0.32
▸ CTSB P07858 2/20 0.32

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
SCHEMBL16694 1.00 CACNA2D1 (0.45) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL2637586 1.00 CACNA2D1 (0.45) CACNA2D1CACNB3CACNA1CPGRADRA1A
Ammonia Solution, Strong SCHEMBL3024177 0.98 CACNA2D1 (0.44) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL262563 0.98 CACNA2D1 (0.44) CACNA2D1CACNB3CACNA1CPGRADRA1A
Ammonia Solution, Strong SCHEMBL3024172 0.98 CACNA2D1 (0.44) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL262562 0.98 CACNA2D1 (0.44) CACNA2D1CACNB3CACNA1CPGRADRA1A
Tert-Butylamine SCHEMBL4158435 0.91 CACNA2D1 (0.43) CACNA2D1CACNB3CACNA1CPGRADRA1A
Tert-Butylamine SCHEMBL4158429 0.91 CACNA2D1 (0.43) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL4390679 0.90 CACNA2D1 (0.41) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL4384267 0.90 CACNA2D1 (0.41) 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 302 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116041214-B Preparation method and application of pregabalin intermediate 奥锐特药业股份有限公司 2025-04-22 — — CN claimed
US-20250084395-A1 ENGINEERED NITRILASES FOR BIOCATALYSIS KCAT ENZYMATIC PRIVATE LIMITED (IN) 2025-03-13 — — US claimed
CN-116139882-B Raney nickel metal alloy catalyst, preparation method thereof and application thereof in preparation of pregabalin through hydrogenation 浙江工业大学 2025-02-14 — — CN claimed
CN-118666698-A Preparation method of pregabalin 浙江普洛家园药业有限公司 2024-09-20 — — CN claimed
CN-118652187-A Synthetic method of pregabalin intermediate II 浙江普洛家园药业有限公司 2024-09-17 — — CN claimed
CN-118496114-A Preparation method of pregabalin 威海海洋职业学院 2024-08-16 — — CN claimed
CN-118421609-A Immobilized nitrilase for synthesizing pregabalin chiral intermediate, and preparation method and application thereof 浙江普洛家园药业有限公司 2024-08-02 — — CN claimed
CN-118421720-A Synthesis method of (S) -3-cyano-5-methylhexanoic acid 浙江普洛家园药业有限公司 2024-08-02 — — CN claimed
CN-114164197-B Nitrilase mutant with improved thermal stability and activity and application thereof 浙江工业大学 2023-08-18 — — CN claimed
CN-116139882-A Raney nickel metal alloy catalyst, preparation method thereof and application thereof in preparation of pregabalin through hydrogenation 浙江工业大学 2023-05-23 — — CN claimed
US-20080015385-A1 Preparation of (S)-pregabalin-nitrile TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2008-01-17 — — US claimed
WO-2007143152-A2 PREPARATION OF (S)-PREGABALIN-NITRILE TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2007-12-13 — — WO claimed
US-20070196905-A1 Stereoselective bioconversion of aliphatic dinitriles into cyano carboxylic acids PFIZER INC. 2007-08-23 — — US claimed
EP-1745136-A1 STEREOSELECTIVE BIOCONVERSION OF ALIPHATIC DINITRILES INTO CYANO CARBOXYLIC ACIDS Pfizer Products Inc. (US) 2007-01-24 — — EP claimed
WO-2005100580-A1 STEREOSELECTIVE BIOCONVERSION OF ALIPHATIC DINITRILES INTO CYANO CARBOXYLIC ACIDS PFIZER PRODUCTS INC. (US) 2005-10-27 — — WO claimed
US-6891059-B2 Asymmetric synthesis of pregabalin WARNER-LAMBERT COMPANY (US) 2005-05-10 — — US claimed
EP-1250311-B1 ASYMMETRIC SYNTHESIS OF PREGABALIN WARNER LAMBERT CO (US) 2004-03-17 — — EP claimed
US-20030212290-A1 Asymmetric synthesis of pregabalin BURK MARK JOSEPH (US) 2003-11-13 — — US claimed
EP-1250311-A1 ASYMMETRIC SYNTHESIS OF PREGABALIN WARNER-LAMBERT COMPANY (US) 2002-10-23 — — EP claimed
WO-2001055090-A1 ASYMMETRIC SYNTHESIS OF PREGABALIN WARNER-LAMBERT COMPANY (US) 2001-08-02 — — WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20030212290-A1 Asymmetric synthesis of pregabalin GABRA5, GABRA6, GABRE CACNA2D1 75/4885CACNB3 144/4885CACNA1C 90/4885
US-20080015385-A1 Preparation of (S)-pregabalin-nitrile GABRE, GAP43, RIMKLA CACNA2D1 635/4885CACNB3 127/4885CACNA1C 89/4885
US-20070196905-A1 Stereoselective bioconversion of aliphatic dinitriles into cyano carboxylic acids GABRD, GABRB3, GABRB2 CACNA2D1 213/4885CACNB3 27/4885CACNA1C 33/4885

“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.