SCHEMBL14736668

SCHEMBL14736668

Cn1ncc(C(=O)N2CCSCC2)c1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 11/20 0.49
KMT2A Q03164 1/20 0.42
HPGD P15428 4/20 0.42
TSHR P16473 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CASP1 P29466 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL9106126 0.86 POLB (0.49) PDE10ATSHR
SCHEMBL1458202 0.86 PDE10A (0.50) PDE10A
SCHEMBL14672263 0.85 POLB (0.47) PDE10AHPGDTSHR
SCHEMBL9104762 0.85 L3MBTL1 (0.51) PDE10AKMT2ATSHRL3MBTL1KDM4E
SCHEMBL11889054 0.84 KMT2A (0.46) PDE10AKMT2AL3MBTL1KDM4E
SCHEMBL11888963 0.82 SIGMAR1 (0.44) PDE10AKMT2A
SCHEMBL1458472 0.82 HTT (0.52) PDE10AKMT2AKDM4EALDH1A1
SCHEMBL9104373 0.81 SPR (0.45) PDE10AKMT2AL3MBTL1
SCHEMBL28006655 0.80 KMT2A (0.46) PDE10AKMT2AHPGDTSHRL3MBTL1
SCHEMBL11890121 0.78 PDE10A (0.51) PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103781768-B Pde10 regulator 霍夫曼-拉罗奇有限公司 2016-08-17 CN claimed
US-8772510-B2 PDE10 modulators HOFFMANN-LA ROCHE INC. (US) 2014-07-08 US claimed
US-20130059833-A1 PDE10 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-07 US claimed
CN-103781768-B Pde10 regulator 霍夫曼-拉罗奇有限公司 2016-08-17 CN disclosed
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
CN-103781768-A PDE10 modulators HOFFMANN LA ROCHE 2014-05-07 CN 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 1/4885KMT2A 2193/4885HPGD 1466/4885

“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.