SCHEMBL14736561

SCHEMBL14736561

Cn1cc(-c2ccccc2)nc1CCNC(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 10/20 0.51
ALDH1A1 P00352 1/20 0.47
GFER P55789 1/20 0.47
CKS1B P61024 1/20 0.46
SKP1 P63208 1/20 0.46
SKP2 Q13309 1/20 0.46
ACACB O00763 3/20 0.45
ACACA Q13085 2/20 0.45
PRMT5 O14744 1/20 0.45
WDR77 Q9BQA1 1/20 0.45
TTK P33981 1/20 0.45

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
SCHEMBL14736640 0.89 PDE10A (0.54) PDE10AALDH1A1GFER
SCHEMBL14736325 0.86 PDE10A (0.57) PDE10AALDH1A1GFER
SCHEMBL1929544 0.86 HDAC1 (0.44) PDE10ACKS1BSKP1SKP2ACACB
Iodide SCHEMBL14736217 0.85 ALDH1A1 (0.46) PDE10AALDH1A1GFERCKS1BSKP1
SCHEMBL14736776 0.85 PDE10A (0.57) PDE10AALDH1A1GFERCKS1BSKP1
SCHEMBL14736629 0.84 PDE10A (0.56) PDE10AALDH1A1GFER
SCHEMBL17274166 0.83 PDE10A (0.56) PDE10APRMT5WDR77
SCHEMBL18764883 0.81 ALDH1A1 (0.51) ALDH1A1GFERCKS1BSKP1SKP2
SCHEMBL18764760 0.77 ALDH1A1 (0.50) ALDH1A1GFER
SCHEMBL17274050 0.77 SUCNR1 (0.48) CKS1BSKP1SKP2ACACBACACA

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
EP-2753604-B1 PDE10 MODULATORS HOFFMANN LA ROCHE (CH) 2015-08-19 EP disclosed
US-8772510-B2 PDE10 modulators HOFFMANN-LA ROCHE INC. (US) 2014-07-08 US disclosed
EP-2574607-A1 PDE10 modulators F. Hoffmann-La Roche AG (CH) 2013-04-03 EP disclosed
WO-2013034506-A1 PDE10 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-14 WO disclosed
US-20130059833-A1 PDE10 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-07 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-20130059833-A1 PDE10 MODULATORS PDE10A, PDE5A, PDE2A PDE10A 1/4885ALDH1A1 775/4885GFER 3613/4885

“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.