SCHEMBL14736388

SCHEMBL14736388

COCCn1cc(-c2ccccc2)nc1CCNC(=O)O

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 11/20 0.62
HPGD P15428 2/20 0.49
RAB9A P51151 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.42
IL1B P01584 1/20 0.42
P2RX7 Q99572 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 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
SCHEMBL14736776 0.87 PDE10A (0.57) PDE10AHPGDRAB9ACYP1A2CYP2C9
SCHEMBL14736565 0.81 PDE10A (0.60) PDE10A
SCHEMBL14737048 0.80 PDE10A (0.48) PDE10AHPGDALDH1A1CNR1CNR2
SCHEMBL14737047 0.80 PDE10A (0.48) PDE10AHPGDRAB9ACYP1A2CYP2C9
Hydrochloric Acid SCHEMBL14736553 0.79 PDE10A (0.48) PDE10AHPGDALDH1A1CNR1CNR2
SCHEMBL14751513 0.78 PDE10A (1.00) PDE10A
SCHEMBL17004112 0.77 PDE10A (0.80) PDE10A
SCHEMBL14736941 0.77 PDE10A (0.64) PDE10AHPGDKDM4EALDH1A1
SCHEMBL14736793 0.73 PDE10A (0.61) PDE10AHPGDRAB9AKDM4EALDH1A1
SCHEMBL17274166 0.73 PDE10A (0.56) PDE10AL3MBTL1

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 1/4885HPGD 1466/4885RAB9A 109/4885

“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.