SCHEMBL2862634

SCHEMBL2862634

COC(=O)C(C(=O)OC)C1(C#N)CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
NPSR1 Q6W5P4 1/20 0.32
DPP4 P27487 3/20 0.32
GAA P10253 1/20 0.32
PDE4A P27815 1/20 0.31
MEN1 O00255 1/20 0.31
CYP3A4 P08684 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ATM Q13315 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 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
SCHEMBL3816284 0.82 ALDH1A1 (0.34) ALDH1A1DPP4GAAMEN1KMT2A
SCHEMBL3817810 0.76 ALDH1A1 (0.39) ALDH1A1
SCHEMBL2862637 0.75 KDM4E (0.32) ALDH1A1DPP4KDM4EATMLMNA
SCHEMBL7207409 0.72 NPSR1 (0.36) ALDH1A1NPSR1DPP4MEN1CYP3A4
SCHEMBL9819380 0.71 CTSK (0.33) DPP4KDM4EATMMAPT
SCHEMBL840862 0.69 ALDH1A1 (0.37) ALDH1A1DPP4
SCHEMBL10385301 0.69 MEN1 (0.35) ALDH1A1DPP4GAAMEN1KMT2A
SCHEMBL7208896 0.68 NPSR1 (0.33) ALDH1A1NPSR1MEN1CYP3A4KMT2A
SCHEMBL14859472 0.67 NPSR1 (0.44) ALDH1A1NPSR1DPP4GAAPDE4A
SCHEMBL18871066 0.67 NPSR1 (0.44) ALDH1A1NPSR1DPP4GAAPDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0358092-B1 2-AZA-4-(ALKOXYCARBONYL)SPIRO-(4,5)DECAN-3-ONE LONZA A.G. (CH) 1991-12-11 EP claimed
US-4958044-A 2-aza-4-(alkoxycarbonyl)spiro[4,5]-decan-3-one LONZA LTD. (CH) 1990-09-18 US claimed
EP-0358092-A1 2-Aza-4-(alkoxycarbonyl)spiro-(4,5)decan-3-one LONZA A.G. (CH) 1990-03-14 EP claimed
WO-2010023694-A2 CRYSTALLINE FORMS OF GABAPENTIN AND PROCESS THEREOF HIKAL LTD (IN) 2010-03-04 WO disclosed
EP-1603863-B1 PROCESS FOR THE PREPARATION OF AMINO METHYL CYCLO ALKANE ACETIC ACIDS HIKAL LTD (IN) 2010-01-13 EP 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
EP-1603863-A1 PROCESS FOR THE PREPARATION OF AMINO METHYL CYCLO ALKANE ACETIC ACIDS Hikal Ltd. (IN) 2005-12-14 EP disclosed
WO-2004046085-A1 PROCESS FOR THE PREPARATION OF AMINO METHYL CYCLO ALKANE ACETIC ACIDS HIKAL LTD. (IN) 2004-06-03 WO disclosed
US-5149870-A Process for the production of 1-(aminomethyl)cyclohexane acetic acid LONZA LTD. (CH) 1992-09-22 US disclosed
US-5136091-A Alcoholysis, hydrolysis, transesterification, and hydrogenatio hydrogenation; acid & basic catalysts; anticonvulsants LONZA LTD. (CH) 1992-08-04 US disclosed
US-5130455-A Anticonvulsants LONZA LTD. (CH) 1992-07-14 US disclosed
US-5095148-A PROCESS FOR THE PRODUCTION OF 1-(AMINOMETHYL)CYCLOHEXANE ACETIC ACID LONZA LTD. (CH) 1992-03-10 US disclosed
EP-0358092-B1 2-AZA-4-(ALKOXYCARBONYL)SPIRO-(4,5)DECAN-3-ONE LONZA A.G. (CH) 1991-12-11 EP disclosed
US-4958044-A 2-aza-4-(alkoxycarbonyl)spiro[4,5]-decan-3-one LONZA LTD. (CH) 1990-09-18 US disclosed
US-4956473-A ANTICONVULSANTS LONZA LTD. (CH) 1990-09-11 US disclosed
EP-0358092-A1 2-Aza-4-(alkoxycarbonyl)spiro-(4,5)decan-3-one LONZA A.G. (CH) 1990-03-14 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-20060149099-A1 Process for the preparation of amino methyl cyclo alkane acetic acids GABRA1, GABRA6, ACMSD ALDH1A1 366/4885NPSR1 1872/4885DPP4 1130/4885

“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.