SCHEMBL306574

SCHEMBL306574

CC(=O)OCC(C)n1ccc2c(NC(=O)CC3(O)CCCCCC3)c(C)ccc2c1=O

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 9/20 0.43
KCNH2 Q12809 1/20 0.33
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
AKR1B1 P15121 1/20 0.30

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
SCHEMBL306573 1.00 P2RX7 (0.43) P2RX7KCNH2LMNAHTTAKR1B1
SCHEMBL307385 0.88 P2RX7 (0.54) P2RX7KCNH2AKR1B1
SCHEMBL308628 0.88 P2RX7 (0.54) P2RX7KCNH2AKR1B1
SCHEMBL305995 0.83 P2RX7 (0.59) P2RX7LMNA
SCHEMBL305996 0.83 P2RX7 (0.59) P2RX7LMNA
SCHEMBL306210 0.83 P2RX7 (0.44) P2RX7LMNA
SCHEMBL306209 0.83 P2RX7 (0.44) P2RX7LMNA
SCHEMBL8138683 0.79 P2RX7 (0.49) P2RX7
SCHEMBL306616 0.74 P2RX7 (0.43) P2RX7
SCHEMBL306615 0.74 P2RX7 (0.43) P2RX7

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-2124562-B1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF SECOND GENOME INC (US) 2016-04-20 EP disclosed
US-8093265-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2012-01-10 US disclosed
EP-2124562-A1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF Renovis, Inc. (US) 2009-12-02 EP 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 P2RX7 1/4885KCNH2 750/4885LMNA 1729/4885

“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.