SCHEMBL3816283

SCHEMBL3816283

CCOC(=O)C(CC)C(=O)OC1(C#N)CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
ALOX12 P18054 1/20 0.31
TSHR P16473 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
SCHEMBL10033536 0.80 KDM4E (0.33) ALDH1A1KDM4E
SCHEMBL7276909 0.80 ALDH1A1 (0.40) ALDH1A1KDM4EMAPTALOX12TSHR
SCHEMBL11096615 0.79 BACE1 (0.31) KDM4E
SCHEMBL7270574 0.78 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTALOX12TSHR
SCHEMBL28004701 0.75 ALDH1A1 (0.33) ALDH1A1KDM4E
SCHEMBL27410529 0.72 ALDH1A1 (0.36) ALDH1A1KDM4EMAPT
SCHEMBL230068 0.71 ALDH1A1 (0.50) ALDH1A1KDM4EMAPT
SCHEMBL3816284 0.70 ALDH1A1 (0.34) ALDH1A1KDM4EMAPTALOX12TSHR
SCHEMBL9843658 0.70 ALDH1A1 (0.38) ALDH1A1MAPT
SCHEMBL2861221 0.70 ALDH1A1 (0.38) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 49/4885KDM4E 134/4885MAPT 1544/4885

“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.