SCHEMBL14736124

SCHEMBL14736124

Cc1nc(-c2ccccc2)nn1CCNC(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.59
TSHR P16473 1/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
NR1H3 Q13133 7/20 0.47
NR1H2 P55055 4/20 0.46
HTT P42858 2/20 0.45
PPARG P37231 1/20 0.45
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
GAA P10253 2/20 0.43
LMNA P02545 1/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43

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
SCHEMBL7921132 0.80 NR1H3 (0.53) PDE10ATSHRKMT2AMEN1NR1H3
SCHEMBL14736606 0.77 NR1H3 (0.53) PDE10ATSHRKMT2AMEN1NR1H3
SCHEMBL14736604 0.77 TSHR (0.53) TSHRKMT2ANR1H3NR1H2HTT
SCHEMBL14751718 0.76 PDE10A (1.00) PDE10A
Hydrochloric Acid SCHEMBL14736512 0.76 NR1H3 (0.51) PDE10ATSHRKMT2AMEN1NR1H3
SCHEMBL14736941 0.75 PDE10A (0.64) PDE10ATSHRKMT2AALDH1A1GAA
SCHEMBL14736695 0.72 PDE10A (0.54) PDE10A
SCHEMBL1313264 0.72 CA1 (0.43) TSHRHTTALDH1A1MAPTL3MBTL1
SCHEMBL14736380 0.71 PDE10A (0.59) PDE10ATSHRKMT2ANR1H3NR1H2
SCHEMBL14736479 0.70 PDE10A (0.61) PDE10ATSHRKMT2ANR1H3HTT

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-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
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 1/4885TSHR 797/4885KMT2A 2193/4885

“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.