SCHEMBL306972

SCHEMBL306972

Cc1ccc2c(=O)n([C@H](C)CO)ccc2c1C(=O)NCC1CCCCCC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.43
KMT2A Q03164 2/20 0.42
BCL2 P10415 1/20 0.41
BCL2L1 Q07817 1/20 0.41
MCL1 Q07820 1/20 0.41
BCL2A1 Q16548 1/20 0.41
P2RX7 Q99572 6/20 0.41
MAPK14 Q16539 4/20 0.39
MMP13 P45452 1/20 0.38
MEN1 O00255 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
EPHX1 P07099 1/20 0.36
EPHX2 P34913 1/20 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
SCHEMBL307024 0.89 P2RX7 (0.49) PDE10AKMT2AP2RX7MEN1
SCHEMBL1894976 0.83 PDE10A (0.48) PDE10AKMT2AP2RX7MEN1
SCHEMBL1894979 0.83 PDE10A (0.48) PDE10AKMT2AP2RX7MEN1
SCHEMBL12668700 0.83 PDE10A (0.48) PDE10AKMT2AP2RX7MEN1
SCHEMBL306913 0.81 P2RX7 (0.43) P2RX7
SCHEMBL8130461 0.80 P2RX7 (0.44) P2RX7
SCHEMBL4448219 0.79 P2RX7 (0.47) P2RX7
SCHEMBL305529 0.79 P2RX7 (0.54) P2RX7
SCHEMBL305528 0.79 P2RX7 (0.54) P2RX7
SCHEMBL307169 0.78 P2RX7 (0.55) KMT2AP2RX7MEN1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080287415-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof SECOND GENOME, INC. 2008-11-20 US claimed
US-8093265-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2012-01-10 US disclosed
US-8093265-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2012-01-10 US disclosed
US-8093265-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2012-01-10 US disclosed
US-20080287415-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof SECOND GENOME, INC. 2008-11-20 US disclosed
US-20080287415-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof SECOND GENOME, INC. 2008-11-20 US disclosed
US-20080287415-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof SECOND GENOME, INC. 2008-11-20 US disclosed
WO-2008112205-A1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2008-09-18 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-20080287415-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 PDE10A 1064/4885KMT2A 4670/4885BCL2 634/4885

“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.