SCHEMBL4763335

SCHEMBL4763335

COC(=O)c1ccc(OCc2nc3ccccc3n2C)cc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.67
NPC1 O15118 8/20 0.67
HDAC6 Q9UBN7 1/20 0.60
TP53 P04637 2/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
PDE10A Q9Y233 1/20 0.56
MAPT P10636 2/20 0.56
THRB P10828 1/20 0.56
FGFR1 P11362 1/20 0.52
PPARG P37231 3/20 0.52
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
TSHR P16473 1/20 0.51
DRD2 P14416 1/20 0.51
TBXA2R P21731 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
SCHEMBL4725005 0.88 RAB9A (0.75) RAB9ANPC1HDAC6TP53SMN1; SMN2
SCHEMBL4766696 0.84 RAB9A (0.62) RAB9ANPC1HDAC6TP53SMN1; SMN2
SCHEMBL2247503 0.83 RAB9A (0.81) RAB9ANPC1TP53SMN1; SMN2MAPT
SCHEMBL2881289 0.82 DRD2 (0.68) RAB9ANPC1HDAC6SMN1; SMN2MAPT
SCHEMBL2247920 0.81 RAB9A (1.00) RAB9ANPC1HDAC6TP53SMN1; SMN2
SCHEMBL4763542 0.80 RAB9A (0.59) RAB9ANPC1HDAC6TP53SMN1; SMN2
SCHEMBL2245364 0.79 RAB9A (0.78) RAB9ANPC1TP53SMN1; SMN2MAPT
SCHEMBL14451614 0.79 RAB9A (0.78) RAB9ANPC1TP53SMN1; SMN2MAPT
SCHEMBL4102373 0.79 RAB9A (1.00) RAB9ANPC1TP53SMN1; SMN2MAPT
SCHEMBL14451616 0.79 RAB9A (0.72) RAB9ANPC1TP53SMN1; SMN2MAPT

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-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
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
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 RAB9A 334/4885NPC1 1991/4885HDAC6 219/4885

“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.