SCHEMBL4768227

SCHEMBL4768227

OCc1nc2cccc3c2n1CCC3

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.60
MAPT P10636 1/20 0.60
RAB9A P51151 1/20 0.60
MCL1 Q07820 3/20 0.43
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
RECQL P46063 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTT P42858 1/20 0.39
BACE1 P56817 1/20 0.39
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HSD17B10 Q99714 3/20 0.38
USP2 O75604 2/20 0.38
HPGD P15428 1/20 0.38
GAA P10253 1/20 0.37
KDM4E B2RXH2 2/20 0.36
CYP1A2 P05177 2/20 0.36

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
SCHEMBL4947911 0.85 NPC1 (0.60) NPC1MAPTRAB9AMCL1KMT2A
SCHEMBL18853940 0.85 NPC1 (0.60) NPC1MAPTRAB9AMCL1KMT2A
SCHEMBL14487640 0.83 NPC1 (0.55) NPC1MAPTRAB9AMCL1KMT2A
SCHEMBL12776075 0.81 NPC1 (0.59) NPC1MAPTRAB9AMCL1KMT2A
SCHEMBL14487502 0.81 NPC1 (0.56) NPC1MAPTRAB9AMCL1KMT2A
SCHEMBL8482550 0.80 PARP1 (0.55) NPC1MAPTRAB9AMCL1KMT2A
SCHEMBL7424856 0.76 NPC1 (0.50) NPC1MAPTRAB9AMCL1KMT2A
SCHEMBL9078237 0.76 NPC1 (0.56) NPC1MAPTRAB9AMCL1KMT2A
SCHEMBL5057519 0.76 NPC1 (0.50) NPC1MAPTRAB9AMCL1KMT2A
SCHEMBL10633577 0.76 NPC1 (0.50) NPC1MAPTRAB9AMCL1KMT2A

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
EP-1979343-A2 BICYCLIC HETEROARYL COMPOUNDS AS PDE10 INHIBITORS Pfizer Products Inc. (US) 2008-10-15 EP disclosed
WO-2007077490-A2 BICYCLIC HETEROARYL COMPOUNDS AS PDE10 INHIBITORS PFIZER PRODUCTS INC. (US) 2007-07-12 WO disclosed
US-20070155779-A1 BICYCLIC HETEROARYL COMPOUNDS AS PDE10 INHIBITORS PFIZER INC 2007-07-05 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-20070155779-A1 BICYCLIC HETEROARYL COMPOUNDS AS PDE10 INHIBITORS PDE12, PDE10A, PDE7A NPC1 1991/4885MAPT 337/4885RAB9A 334/4885

“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.