SCHEMBL4985374

SCHEMBL4985374

O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ncnc2c1CCN(S(=O)(=O)c1ccc(Cl)cc1)C2

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 6/20 0.47
TSHR P16473 2/20 0.43
LMNA P02545 2/20 0.43
ALOX12 P18054 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
MKNK1 Q9BUB5 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.39
NR4A1 P22736 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL4982810 0.92 P2RX7 (0.47) P2RX7TSHRALOX12CA12CA9
SCHEMBL5014908 0.92 KMT2A (0.43) P2RX7TSHRCA12CA9MKNK1
SCHEMBL4988059 0.91 P2RX7 (0.41) P2RX7TSHRCA12CA9POLB
SCHEMBL4989548 0.91 CA12 (0.42) P2RX7TSHRCA12CA9POLB
SCHEMBL4985280 0.91 P2RX7 (0.43) P2RX7TSHRCA12CA9KMT2A
SCHEMBL4988078 0.91 P2RX7 (0.43) P2RX7TSHRLMNACA12CA9
SCHEMBL4983064 0.90 MAPT (0.41) P2RX7CA12CA9MKNK1MAPT
SCHEMBL4987204 0.89 P2RX7 (0.42) P2RX7TSHRLMNAHTTCA12
SCHEMBL4983714 0.89 CA12 (0.41) P2RX7TSHRLMNACA12CA9
SCHEMBL4986092 0.89 P2RX7 (0.43) P2RX7TSHRLMNAMAPTPOLB

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
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
US-7297700-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2007-11-20 US 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
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 1/4885TSHR 3850/4885LMNA 1911/4885

“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.