SCHEMBL1897650

SCHEMBL1897650

CC(=O)OCC(C)n1ccc2c(C(=O)NCC3CCCCCC3)cccc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.47
KMT2A Q03164 2/20 0.41
CNR1 P21554 5/20 0.41
CNR2 P34972 5/20 0.41
NPC1 O15118 1/20 0.41
P2RX7 Q99572 1/20 0.41
HTR4 Q13639 3/20 0.39
BCHE P06276 1/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 1/20 0.38
NR5A1 Q13285 1/20 0.38

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
SCHEMBL1897648 1.00 PDE10A (0.47) PDE10AKMT2ACNR1CNR2NPC1
SCHEMBL1894976 0.88 PDE10A (0.48) PDE10AKMT2ACNR1CNR2NPC1
SCHEMBL12668529 0.88 PDE10A (0.52) PDE10AKMT2ACNR1CNR2NPC1
SCHEMBL12668700 0.88 PDE10A (0.48) PDE10AKMT2ACNR1CNR2NPC1
SCHEMBL1894979 0.88 PDE10A (0.48) PDE10AKMT2ACNR1CNR2NPC1
SCHEMBL12674845 0.83 PDE10A (0.45) PDE10AKMT2ACNR1CNR2NPC1
SCHEMBL12675157 0.83 PDE10A (0.45) PDE10AKMT2ACNR1CNR2NPC1
SCHEMBL12675159 0.83 PDE10A (0.45) PDE10AKMT2ACNR1CNR2NPC1
SCHEMBL12674853 0.83 PDE10A (0.45) PDE10AKMT2ACNR1CNR2NPC1
SCHEMBL12675553 0.81 P2RX7 (0.47) PDE10AKMT2ACNR1CNR2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1937643-B1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF SECOND GENOME INC (US) 2016-07-13 EP disclosed
US-8779144-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof EVOTEC (US) INC. (US) 2014-07-15 US disclosed
US-20110118287-A1 Bicycloheteroaryl Compounds As P2X7 Modulators and Uses Thereof RENOVIS, INC. (US) 2011-05-19 US disclosed
EP-1937643-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF Renovis, Inc. (US) 2008-07-02 EP disclosed
WO-2007109160-A9 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS INC (US) 2007-11-15 WO disclosed
WO-2007109160-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2007-09-27 WO 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-20110118287-A1 Bicycloheteroaryl Compounds As P2X7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX1 PDE10A 965/4885KMT2A 4684/4885CNR1 45/4885

“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.