SCHEMBL841368

SCHEMBL841368

CCOC(C)(OCC)C1(C#N)CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL28959862 0.73 ALDH1A1 (0.37) ALDH1A1
SCHEMBL4968787 0.72 ALDH1A1 (0.40) ALDH1A1
SCHEMBL4738792 0.69 ALDH1A1 (0.36) ALDH1A1
SCHEMBL2864827 0.69 ALDH1A1 (0.42) ALDH1A1
SCHEMBL11272259 0.68 ALDH1A1 (0.33) ALDH1A1
SCHEMBL7156104 0.68 ALDH1A1 (0.30) ALDH1A1
SCHEMBL9733652 0.67
SCHEMBL1091612 0.65 ALDH1A1 (0.31) ALDH1A1
SCHEMBL27439203 0.60 ALDH1A1 (0.33) ALDH1A1
SCHEMBL24230090 0.59 PDE4A (0.40) ALDH1A1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2038249-B1 PROCESS FOR PREPARING GABAPENTIN ZACH SYSTEM SPA (IT) 2013-09-11 EP disclosed
US-8143443-B2 Process for preparing gabapentin ZACH SYSTEM S.P.A. (IT) 2012-03-27 US disclosed
US-20100029983-A1 PROCESS FOR PREPARING GABAPENTIN ZACH SYSTEM S.P.A. (IT) 2010-02-04 US disclosed
US-5175306-A Intermediates for hypotensive agents HOECHST AKTIENGESELLSCHAFT (DE) 1992-12-29 US disclosed
US-4822894-A PURE CIS ENANTIOMERS OF FUSED PYRROLE RING CARBOXYLATES HOECHST AKTIENGESELLSCHAFT (DE) 1989-04-18 US disclosed
EP-0094633-B1 SPIRO-2-AZA-ALKANE-3-CARBONITRILES, PROCESS FOR THEIR PREPARATION AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1988-11-09 EP disclosed
EP-0115345-B1 PROCESS FOR THE RESOLUTION OF RACEMIC OPTICALLY ACTIVE BICYCLIC IMINO-ALPHA-CARBOXYLIC ACID ESTERS AND USE OF THE COMPOUNDS OBTAINABLE IN THIS WAY FOR THE SYNTHESIS OF CARBOXYALKYL DIPEPTIDES HOECHST AKTIENGESELLSCHAFT (DE) 1988-01-07 EP disclosed
US-4668796-A Racemates of optically active bicyclic imino-alpha-carboxylic esters HOECHST AKTIENGESELLSCHAFT (DE) 1987-05-26 US disclosed
US-4515960-A INTERMEDIATES FOR HYPOTENSIVES HOECHST AKTIENGESELLSCHAFT (DE) 1985-05-07 US disclosed
EP-0115345-A1 Process for the resolution of racemic optically active bicyclic imino-alpha-carboxylic acid esters and use of the compounds obtainable in this way for the synthesis of carboxyalkyl dipeptides HOECHST AKTIENGESELLSCHAFT (DE) 1984-08-08 EP disclosed
EP-0094633-A2 Spiro-2-aza-alkane-3-carbonitriles, process for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1983-11-23 EP 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-20100029983-A1 PROCESS FOR PREPARING GABAPENTIN GABRB1, GABRG1, OGDH ALDH1A1 55/4885

“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.