SCHEMBL2862637

SCHEMBL2862637

CCOC(=O)C(C(=O)O)C1(C#N)CCCCC1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.32
ALDH1A1 P00352 3/20 0.32
MAPT P10636 1/20 0.32
ALOX12 P18054 1/20 0.32
TSHR P16473 1/20 0.32
HIF1A Q16665 1/20 0.31
PPARA Q07869 1/20 0.31
DPP4 P27487 1/20 0.31
HTT P42858 2/20 0.31
RXFP1 Q9HBX9 1/20 0.31
LMNA P02545 1/20 0.31
ATM Q13315 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL3816284 0.92 ALDH1A1 (0.34) KDM4EALDH1A1MAPTALOX12TSHR
SCHEMBL9819380 0.82 CTSK (0.33) KDM4EMAPTDPP4ATM
SCHEMBL3817810 0.81 ALDH1A1 (0.39) ALDH1A1
SCHEMBL10385301 0.79 MEN1 (0.35) KDM4EALDH1A1MAPTALOX12TSHR
SCHEMBL6289946 0.77 ALDH1A1 (0.35) KDM4EALDH1A1TSHRPPARALMNA
SCHEMBL7208245 0.77 ALDH1A1 (0.41) KDM4EALDH1A1TSHRPPARALMNA
SCHEMBL2862634 0.75 ALDH1A1 (0.34) KDM4EALDH1A1MAPTDPP4LMNA
SCHEMBL6287567 0.75 ALDH1A1 (0.33) ALDH1A1TSHRPPARALMNASMN1; SMN2
SCHEMBL840862 0.71 ALDH1A1 (0.37) ALDH1A1DPP4
SCHEMBL7207337 0.71 ALDH1A1 (0.44) KDM4EALDH1A1MAPTTSHRLMNA

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 14 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
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
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

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 KDM4E 543/4885ALDH1A1 366/4885MAPT 317/4885

“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.