SCHEMBL4154400

SCHEMBL4154400

Cn1cc(-c2ccccc2)c(-c2ccc(OCc3nc4ccccc4n3C)cc2)n1

nearest known ligand 0.86

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 12/20 0.68
NPC1 O15118 3/20 0.64
RAB9A P51151 3/20 0.64
LGALS3 P17931 1/20 0.57
PDE4D Q08499 1/20 0.57
PDE4A P27815 6/20 0.55
PDE4B Q07343 6/20 0.55
PDE3B Q13370 5/20 0.54
PDE3A Q14432 4/20 0.54
MAPT P10636 1/20 0.53
HPGD P15428 1/20 0.53
TP53 P04637 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MEN1 O00255 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL30123130 0.93 PDE10A (0.76) PDE10ANPC1RAB9ALGALS3PDE4D
SCHEMBL4724444 0.93 PDE10A (0.76) PDE10ANPC1RAB9ALGALS3PDE4D
SCHEMBL4146610 0.88 RAB9A (0.56) PDE10ANPC1RAB9ALGALS3PDE4D
SCHEMBL4147397 0.86 PDE10A (0.52) PDE10ANPC1RAB9ALGALS3PDE4D
SCHEMBL5532970 0.82 PDE10A (0.67) PDE10ALGALS3PDE4DPDE4APDE4B
SCHEMBL4766725 0.82 PDE10A (0.61) PDE10ANPC1RAB9ALGALS3PDE4D
SCHEMBL30123203 0.82 PDE10A (0.61) PDE10ANPC1RAB9ALGALS3PDE4D
SCHEMBL17088233 0.81 PDE10A (1.00) PDE10ALGALS3PDE4DPDE4APDE4B
SCHEMBL5520218 0.81 PDE10A (0.66) PDE10ALGALS3PDE4DPDE4APDE4B
SCHEMBL17088238 0.81 PDE10A (1.00) PDE10ALGALS3PDE4DPDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090176829-A1 BICYCLIC HETEROARYL COMPOUNDS AS PDE10 INHIBITORS PFIZER INC 2009-07-09 US claimed
WO-2007129183-A2 BICYCLIC HETEROARYL COMPOUNDS AS PDE10 INHIBITORS PFIZER PRODUCTS INC. (US) 2007-11-15 WO claimed
US-20090176829-A1 BICYCLIC HETEROARYL COMPOUNDS AS PDE10 INHIBITORS PFIZER INC 2009-07-09 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-20090176829-A1 BICYCLIC HETEROARYL COMPOUNDS AS PDE10 INHIBITORS PDE12, PDE7A, PDE9A PDE10A 4/4885NPC1 2047/4885RAB9A 399/4885

“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.