SCHEMBL734720

SCHEMBL734720

CCOC(=O)C1CC(C#N)(c2nc(C)cs2)CCC1=O.Cc1csc(C2(C#N)CCC(=O)CC2)n1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 3/20 0.32
GAA P10253 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HSD17B10 Q99714 2/20 0.32
RECQL P46063 1/20 0.32
MAPT P10636 2/20 0.32
USP2 O75604 1/20 0.32
HTT P42858 1/20 0.32
HIF1A Q16665 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HPGD P15428 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
SCHEMBL3931328 0.96 KDM4E (0.34) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL27759583 0.80 L3MBTL1 (0.37) HSD17B10
SCHEMBL3934689 0.78 PKM (0.39) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL4830643 0.76 ADORA2B (0.39) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL4253610 0.76 PKM (0.41) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL4356963 0.74 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AHTT
SCHEMBL17443847 0.72 ADRA1A (0.41) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL22538607 0.72 ADRA1A (0.41) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL29460880 0.72 ADRA1A (0.41) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL3406286 0.71 ALDH1A1 (0.42) KDM4EALDH1A1GAAHSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044016-B1 4-HETEROARYL-SUBSTITUTED 1-AMINOCYCLOHEXANE-1-AND CYCLOHEXENE-1-DERIVATIVES HAVING EFFECTS ON THE OPIOD RECEPTOR SYSTEM GRUENENTHAL GMBH (DE) 2012-12-05 EP disclosed
US-8138187-B2 Substituted heteroaryl derivatives GRUENENTHAL GMBH (DE) 2012-03-20 US disclosed
US-20100009986-A1 SUBSTITUTED HETEROARYL DERIVATIVES GRUNENTHAL GMBH (DE) 2010-01-14 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-20100009986-A1 SUBSTITUTED HETEROARYL DERIVATIVES CYP3A43, HMGCR, ABCG2 KDM4E 2643/4885ALDH1A1 3171/4885GAA 534/4885

“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.