SCHEMBL3020409

SCHEMBL3020409

CCC(C)CC(C#N)CC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 2/20 0.33
CACNB3 P54284 1/20 0.33
CACNA1C Q13936 1/20 0.33
PGR P06401 1/20 0.33
ADRA1A P35348 1/20 0.33
HTR2B P41595 1/20 0.33
CACNA2D2 Q9NY47 1/20 0.33
FFAR1 O14842 1/20 0.33
SLC22A6 Q4U2R8 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
SCHEMBL3020412 1.00 CACNA2D1 (0.33) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL4389195 1.00 CACNA2D1 (0.33) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL4382595 1.00 CACNA2D1 (0.33) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL4389184 1.00 CACNA2D1 (0.33) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL3015727 0.85 TSHR (0.34) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL4378802 0.85 TSHR (0.34) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL3015730 0.85 TSHR (0.34) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL4387847 0.85 TSHR (0.34) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL4381154 0.85 TSHR (0.34) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL29035779 0.85 TSHR (0.34) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304252-B2 Stereoselective bioconversion of aliphatic dinitriles into cyano carboxylic acids PFIZER INC. (US) 2012-11-06 US disclosed
US-20100204503-A1 Stereoselective Bioconversion of Aliphatic Dinitriles into Cyano Carboxylic Acids PFIZER INC 2010-08-12 US disclosed
US-7727749-B2 Stereoselective bioconversion of aliphatic dinitriles into cyano carboxylic acids PFIZER, INC. (US) 2010-06-01 US disclosed
US-20070196905-A1 Stereoselective bioconversion of aliphatic dinitriles into cyano carboxylic acids PFIZER INC. 2007-08-23 US disclosed
EP-1745136-A1 STEREOSELECTIVE BIOCONVERSION OF ALIPHATIC DINITRILES INTO CYANO CARBOXYLIC ACIDS Pfizer Products Inc. (US) 2007-01-24 EP disclosed
WO-2005100580-A1 STEREOSELECTIVE BIOCONVERSION OF ALIPHATIC DINITRILES INTO CYANO CARBOXYLIC ACIDS PFIZER PRODUCTS INC. (US) 2005-10-27 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 (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 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.