SCHEMBL14736246

SCHEMBL14736246

CC(C)(C)OC(=O)N(CCc1nc(-c2cccnc2)n[nH]1)C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 1/20 0.48
PRKAG1 P54619 1/20 0.48
PRKAA2 P54646 1/20 0.48
PRKAA1 Q13131 1/20 0.48
PRKAG3 Q9UGI9 1/20 0.48
PRKAG2 Q9UGJ0 1/20 0.48
PRKAB1 Q9Y478 1/20 0.48
PDE10A Q9Y233 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
DGAT1 O75907 1/20 0.39
LMNA P02545 2/20 0.38
CPB2 Q96IY4 1/20 0.38
GBA1 P04062 1/20 0.38
CYP2C19 P33261 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
GPR119 Q8TDV5 1/20 0.37
IDO1 P14902 1/20 0.36
ADRB3 P13945 1/20 0.35

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
SCHEMBL14736600 0.88 LMNA (0.50) PDE10ADGAT1LMNA
SCHEMBL14736297 0.78 PDE10A (0.45) PDE10ALMNACPB2GBA1CYP2C19
SCHEMBL14736431 0.71 SMN1; SMN2 (0.55) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL14736428 0.70 SMN1; SMN2 (0.51) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
Hydrochloric Acid SCHEMBL14736344 0.70 SMN1; SMN2 (0.54) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL5115985 0.70 ROCK2 (0.48) LMNA
SCHEMBL16510648 0.68 ALDH1A1 (0.42) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL15057162 0.68 SMN1; SMN2 (0.58) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL16510587 0.68 SMN1; SMN2 (0.58) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL27962096 0.68 LMNA (0.50) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3

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 PRKAB2 635/4885PRKAG1 476/4885PRKAA2 1931/4885

“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.