SCHEMBL6893617

SCHEMBL6893617

CC(C)(C)OC(=O)[C@H]1CC[C@H](c2cc(O)n3nccc3n2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GPR119 Q8TDV5 6/20 0.35
CDK2 P24941 2/20 0.34
CCNA1 P78396 2/20 0.34
CHEK1 O14757 1/20 0.34
CCNA2 P20248 1/20 0.34
CCNT1 O60563 1/20 0.33
CDK9 P50750 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
TRPV3 Q8NET8 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
MEN1 O00255 1/20 0.32
TSHR P16473 1/20 0.32
CRHBP P24387 1/20 0.32
HTT P42858 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
SCHEMBL1024592 1.00 PDE10A (0.37) PDE10AKDM4EALDH1A1HPGDNPSR1
SCHEMBL6892588 0.88 PDE10A (0.41) PDE10AKDM4EALDH1A1HPGDNPSR1
SCHEMBL10277658 0.88 PDE10A (0.41) PDE10AKDM4EALDH1A1HPGDNPSR1
SCHEMBL10277723 0.88 CDK2 (0.48) PDE10AKDM4EALDH1A1HPGDNPSR1
SCHEMBL6890507 0.88 CDK2 (0.48) PDE10AKDM4EALDH1A1HPGDNPSR1
SCHEMBL2679820 0.87 PDE10A (0.41) PDE10AKDM4EALDH1A1NPSR1CDK2
SCHEMBL10236624 0.87 PDE10A (0.41) PDE10AKDM4EALDH1A1NPSR1CDK2
SCHEMBL2680289 0.84 GPR119 (0.50) KDM4EALDH1A1HPGDNPSR1GPR119
SCHEMBL2679562 0.84 GPR119 (0.35) PDE10ANPSR1GPR119TRPV3MEN1
SCHEMBL7884734 0.84 GPR119 (0.35) PDE10ANPSR1GPR119TRPV3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2448942-B1 FUSED TRICYCLIC COMPOUNDS AS mTOR INHIBITORS MERCK SHARP & DOHME (US) 2014-09-24 EP disclosed
US-20120178744-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-07-12 US disclosed
US-20120178744-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-07-12 US disclosed
WO-2011002887-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS SCHERING CORPORATION (US) 2011-01-06 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-20120178744-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS MTOR, RICTOR, RPTOR PDE10A 4358/4885KDM4E 799/4885ALDH1A1 4261/4885

“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.