SCHEMBL14736166

SCHEMBL14736166

O=C1c2ccccc2C(=O)N1CCc1nnc(-c2ccncc2)[nH]1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
HSD17B10 Q99714 1/20 0.47
ALDH1A1 P00352 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PDE10A Q9Y233 1/20 0.44
GRM5 P41594 1/20 0.43
MAPT P10636 2/20 0.42
PKM P14618 1/20 0.42
CASP3 P42574 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
IDO1 P14902 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL4633333 0.75 GRM5 (0.66) TSHRHSD17B10ALDH1A1L3MBTL1GRM5
SCHEMBL29459464 0.70 TSHR (0.56) TSHRHSD17B10ALDH1A1L3MBTL1PDE10A
SCHEMBL21067858 0.70 TSHR (0.56) TSHRHSD17B10ALDH1A1L3MBTL1PDE10A
SCHEMBL6402417 0.69 L3MBTL1 (0.55) TSHRHSD17B10ALDH1A1L3MBTL1PDE10A
SCHEMBL1677739 0.69 TDP1 (0.66) TSHRALDH1A1L3MBTL1GRM5PKM
Hydrochloric Acid SCHEMBL9461452 0.69 PDE10A (0.50) TSHRHSD17B10L3MBTL1PDE10AMAPT
SCHEMBL12068350 0.68 PDE10A (0.67) HSD17B10ALDH1A1PDE10AMAPTKMT2A
SCHEMBL14736725 0.68 PKM (0.46) HSD17B10ALDH1A1L3MBTL1PDE10AMAPT
SCHEMBL5864478 0.68 ALDH1A1 (0.64) ALDH1A1PDE10AMAPTKMT2AMEN1
SCHEMBL14195570 0.67 GSK3B (0.52) HSD17B10ALDH1A1L3MBTL1POLBHTT

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 TSHR 797/4885HSD17B10 564/4885ALDH1A1 775/4885

“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.