SCHEMBL6892588

SCHEMBL6892588

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.41
CDK2 P24941 2/20 0.34
CCNA1 P78396 2/20 0.34
CHEK1 O14757 1/20 0.34
CCNA2 P20248 1/20 0.34
HPGD P15428 4/20 0.34
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAPT P10636 2/20 0.33
GAA P10253 2/20 0.33
MALT1 Q9UDY8 1/20 0.33
ANO1 Q5XXA6 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
CCNT1 O60563 1/20 0.33
CDK9 P50750 1/20 0.33
POLB P06746 3/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 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
SCHEMBL10277658 1.00 PDE10A (0.41) PDE10ACDK2CCNA1CHEK1CCNA2
SCHEMBL6893617 0.88 PDE10A (0.37) PDE10ACDK2CCNA1CHEK1CCNA2
SCHEMBL1024592 0.88 PDE10A (0.37) PDE10ACDK2CCNA1CHEK1CCNA2
SCHEMBL10236625 0.87 PDE10A (0.43) PDE10ACDK2CCNA1CHEK1CCNA2
SCHEMBL583894 0.87 PDE10A (0.43) PDE10ACDK2CCNA1CHEK1CCNA2
SCHEMBL6890507 0.87 CDK2 (0.48) PDE10ACDK2CCNA1CHEK1CCNA2
SCHEMBL10277723 0.87 CDK2 (0.48) PDE10ACDK2CCNA1CHEK1CCNA2
SCHEMBL2679455 0.83 GPR119 (0.48) HPGDKDM4EALDH1A1NPSR1MAPT
SCHEMBL588163 0.83 PDE10A (0.36) PDE10AALDH1A1GPR119POLBCYP1A2
SCHEMBL7874417 0.83 PDE10A (0.36) PDE10AALDH1A1GPR119POLBCYP1A2

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 4358/4885CDK2 31/4885CCNA1 97/4885

“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.