SCHEMBL2916670

SCHEMBL2916670

CC(C)CC(C#N)CC#N

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
CYP1A2 P05177 1/20 0.32
MAPK1 P28482 1/20 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
SCHEMBL12186234 1.00 TSHR (0.39) TSHRCYP1A2MAPK1
SCHEMBL31164268 1.00 TSHR (0.39) TSHRCYP1A2MAPK1
SCHEMBL3016069 1.00 TSHR (0.39) TSHRCYP1A2MAPK1
SCHEMBL4740330 0.83 TSHR (0.41) TSHRCYP1A2MAPK1
Ammonia Solution, Strong SCHEMBL27805104 0.80 TSHR (0.39) TSHRCYP1A2MAPK1
SCHEMBL27903049 0.77 PLA2G10 (0.38) CYP1A2
SCHEMBL22613723 0.77 TSHR (0.32) TSHR
SCHEMBL819717 0.77 TSHR (0.33) TSHR
SCHEMBL68459 0.76
SCHEMBL268075 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-117165563-A Immobilization method of nitrilase 浙江工业大学 2023-12-05 CN claimed
CN-112852790-B Plant nitrilase chimeric enzyme mutant, coding gene and application thereof 浙江工业大学 2022-04-29 CN claimed
CN-112626057-B Chimeric plant nitrilase mutant, coding gene and application thereof 浙江工业大学 2022-03-08 CN claimed
CN-113651717-A Racemization method of optically pure isobutyl succinonitrile 浙江工业大学 2021-11-16 CN claimed
CN-112852790-A Plant nitrilase chimeric enzyme mutant, coding gene and application thereof 浙江工业大学 2021-05-28 CN claimed
CN-112626057-A Chimeric plant nitrilase mutant, coding gene and application thereof 浙江工业大学 2021-04-09 CN claimed
CN-110714002-B Plant nitrilase mutant, coding gene and application thereof 浙江工业大学 2021-03-26 CN claimed
US-8304252-B2 Stereoselective bioconversion of aliphatic dinitriles into cyano carboxylic acids PFIZER INC. (US) 2012-11-06 US claimed
US-20100204503-A1 Stereoselective Bioconversion of Aliphatic Dinitriles into Cyano Carboxylic Acids PFIZER INC 2010-08-12 US claimed
US-7727749-B2 Stereoselective bioconversion of aliphatic dinitriles into cyano carboxylic acids PFIZER, INC. (US) 2010-06-01 US claimed
CN-1942587-B Stereoselective bioconversion of aliphatic dinitriles into cyano carboxylic acids PFIZER PROD INC 2010-05-05 CN claimed
EP-1745136-B1 METHOD FOR ENZYMATIC PREPARATION OF (S)-3-CYANO-5-METHYLHEXANOIC ACID PFIZER PROD INC (US) 2009-10-07 EP claimed
US-20070196905-A1 Stereoselective bioconversion of aliphatic dinitriles into cyano carboxylic acids PFIZER INC. 2007-08-23 US claimed
CN-1942587-A Stereoselective bioconversion of aliphatic dinitriles into cyano carboxylic acids PFIZER PROD INC (US) 2007-04-04 CN 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-4123438-A Process for preparing 2-pyrrolidones STAMICARBON, B.V. (NL) 1978-10-31 US 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 (1 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-20070196905-A1 Stereoselective bioconversion of aliphatic dinitriles into cyano carboxylic acids GABRD, GABRB3, GABRB2 TSHR 4626/4885CYP1A2 306/4885MAPK1 4175/4885

“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.