SCHEMBL3817812

SCHEMBL3817812

N#CC1(OC(=O)CC(=O)OC2(C#N)CCCCC2)CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
BACE1 P56817 1/20 0.34
DPP4 P27487 6/20 0.33
STS P08842 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32

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
SCHEMBL9765605 0.91 ALDH1A1 (0.33) ALDH1A1BACE1DPP4STSCTDSP1
Butane SCHEMBL3816274 0.85 DPP4 (0.32) BACE1DPP4STS
SCHEMBL28679791 0.85 ALDH1A1 (0.34) ALDH1A1BACE1
SCHEMBL9843658 0.82 ALDH1A1 (0.38) ALDH1A1BACE1DPP4
SCHEMBL2861221 0.78 ALDH1A1 (0.38) ALDH1A1BACE1DPP4
SCHEMBL10929994 0.78 ALDH1A1 (0.38) ALDH1A1BACE1
SCHEMBL10927098 0.78 ALDH1A1 (0.38) ALDH1A1BACE1
SCHEMBL9843836 0.76 ALDH1A1 (0.37) ALDH1A1BACE1DPP4
SCHEMBL9843903 0.76 ALDH1A1 (0.37) ALDH1A1BACE1DPP4
SCHEMBL11779659 0.76 ALDH1A1 (0.34) ALDH1A1BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0432504-B1 Process for preparing 1-(aminomethyl)cyclohexane acetic acid LONZA AG (CH) 1994-06-08 EP claimed
EP-0358092-B1 2-AZA-4-(ALKOXYCARBONYL)SPIRO-(4,5)DECAN-3-ONE LONZA A.G. (CH) 1991-12-11 EP claimed
US-7632953-B2 Process for the preparation of gabalactam HIKAL LIMITED (IN) 2009-12-15 US disclosed
EP-1599446-B1 AN IMPROVED PROCESS FOR THE PREPARATION OF GABALACTAM HIKAL LTD (IN) 2009-08-12 EP disclosed
US-20060135789-A1 Process for the preparation of gabalactam HIKAL LIMITED 2006-06-22 US disclosed
EP-1599446-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF GABALACTAM Hikal Ltd. (IN) 2005-11-30 EP disclosed
WO-2004046108-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF GABALACTAM 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-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-20060135789-A1 Process for the preparation of gabalactam GABRA5, GABRB1, GABRA6 ALDH1A1 49/4885BACE1 2940/4885DPP4 144/4885

“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.