SCHEMBL4986998

SCHEMBL4986998

COc1cccc(CC(=O)N2CCc3c(ncnc3NC(=O)CC34CC5CC(CC(C5)C3)C4)C2)c1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.45
EPHX2 P34913 4/20 0.41
P2RX3 P56373 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.40
ALOX12 P18054 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.39

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
SCHEMBL4992054 0.91 P2RX7 (0.46) P2RX7P2RX3KMT2AALDH1A1ALOX12
SCHEMBL14272313 0.90 TSHR (0.48) P2RX7EPHX2SIGMAR1KMT2AALDH1A1
SCHEMBL13532485 0.89 SIGMAR1 (0.41) P2RX7SIGMAR1KMT2AALDH1A1MEN1
SCHEMBL4988062 0.88 ALDH1A1 (0.42) P2RX7KMT2AALDH1A1ALOX12MEN1
SCHEMBL4988064 0.88 ALDH1A1 (0.47) P2RX7KMT2AALDH1A1ALOX12MEN1
SCHEMBL4984961 0.88 P2RX7 (0.49) P2RX7EPHX2P2RX3KMT2AALDH1A1
SCHEMBL4990757 0.88 P2RX7 (0.47) P2RX7EPHX2P2RX3
SCHEMBL4989509 0.87 P2RX7 (0.47) P2RX7P2RX3KMT2AALDH1A1ALOX12
SCHEMBL13533001 0.83 SIGMAR1 (0.39) SIGMAR1KMT2AALDH1A1MEN1LMNA
SCHEMBL4987092 0.83 TSHR (0.42) P2RX7EPHX2KMT2AALDH1A1ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof RENOVIS, INC. 2008-02-14 US claimed
EP-1860942-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF Renovis, Inc. (US) 2007-12-05 EP claimed
WO-2006102610-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2006-09-28 WO claimed
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof RENOVIS, INC. 2008-02-14 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-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 P2RX7 1/4885EPHX2 569/4885P2RX3 2/4885

“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.