SCHEMBL3242999

SCHEMBL3242999

N#CC1(CC(=O)O)C=CCC=C1

nearest known ligand 0.42

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.42

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
SCHEMBL7980548 0.98 HSD11B1 (0.41) HSD11B1
SCHEMBL1043082 0.64
SCHEMBL7552932 0.63
SCHEMBL2807409 0.60 HSD11B1 (0.41) HSD11B1
SCHEMBL2805815 0.60 CYP2C19 (0.45) HSD11B1
SCHEMBL3243001 0.59
SCHEMBL13216478 0.59 HSD11B1 (1.00) HSD11B1
SCHEMBL3495245 0.58 CYP2C19 (0.48) HSD11B1
SCHEMBL840651 0.58 CYP2C19 (0.48) HSD11B1
SCHEMBL14084349 0.58 HSD11B1 (0.40) HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6538148-B2 Catalytic hydrogenation WARNER-LAMBERT COMPANY 2003-03-25 US claimed
US-20020010371-A1 Process for preparing a cyclic amino acid anticonvulsant compound DEERING CARL FRANCIS (US) 2002-01-24 US claimed
WO-1999018063-A2 PROCESS FOR PREPARING A CYCLIC AMINO ACID ANTICONVULSANT COMPOUND WARNER-LAMBERT COMPANY (US) 1999-04-15 WO claimed
WO-2010023694-A2 CRYSTALLINE FORMS OF GABAPENTIN AND PROCESS THEREOF HIKAL LTD (IN) 2010-03-04 WO disclosed
US-7635717-B2 Process for the preparation of amino methyl cyclo alkane acetic acids HIKAL LIMITED (IN) 2009-12-22 US disclosed
US-20060149099-A1 Process for the preparation of amino methyl cyclo alkane acetic acids HIKAL LIMITED 2006-07-06 US disclosed
US-6538148-B2 Catalytic hydrogenation WARNER-LAMBERT COMPANY 2003-03-25 US disclosed
US-20020010371-A1 Process for preparing a cyclic amino acid anticonvulsant compound DEERING CARL FRANCIS (US) 2002-01-24 US disclosed
US-6294690-B1 REACTING BENZONITRILE WITH ALKALI METAL IN AMMONIA OR AMINE IN SOLVENT TO FORM ANIONIC INTERMEDIATE, ALKYLATING WITH HALOACETIC ACID, HYDROGENATING RING, HYDROGENATING NITRILE TO AMINE TO PRODUCE GABAPENTIN WARNER-LAMBERT COMPANY 2001-09-25 US disclosed
WO-1999018063-A2 PROCESS FOR PREPARING A CYCLIC AMINO ACID ANTICONVULSANT COMPOUND WARNER-LAMBERT COMPANY (US) 1999-04-15 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 (2 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-20060149099-A1 Process for the preparation of amino methyl cyclo alkane acetic acids GABRA1, GABRA6, ACMSD HSD11B1 438/4885
US-20020010371-A1 Process for preparing a cyclic amino acid anticonvulsant compound BCAT1, BCAT2, GABRA6 HSD11B1 2137/4885

“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.