SCHEMBL4985993

SCHEMBL4985993

O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ncnc2c1CCN(S(=O)(=O)c1c(Cl)cccc1Cl)C2

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 7/20 0.48
TSHR P16473 1/20 0.40
MET P08581 1/20 0.39
EPHX2 P34913 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
USP2 O75604 1/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX12 P18054 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
SCHEMBL4985109 0.91 P2RX7 (0.49) P2RX7TSHRKMT2AMEN1USP2
SCHEMBL4983666 0.90 P2RX7 (0.40) P2RX7TSHREPHX2KMT2AMEN1
SCHEMBL5014908 0.88 KMT2A (0.43) P2RX7TSHREPHX2KMT2AMEN1
SCHEMBL4985374 0.88 P2RX7 (0.47) P2RX7TSHRKMT2AMEN1USP2
SCHEMBL14272437 0.88 TSHR (0.54) P2RX7TSHRMETKMT2AMEN1
SCHEMBL4986092 0.87 P2RX7 (0.43) P2RX7TSHRALDH1A1
SCHEMBL4988078 0.87 P2RX7 (0.43) P2RX7TSHREPHX2KMT2ACA12
SCHEMBL4982810 0.87 P2RX7 (0.47) P2RX7TSHRKMT2AMEN1USP2
SCHEMBL4988059 0.86 P2RX7 (0.41) P2RX7TSHREPHX2KMT2AMEN1
SCHEMBL4987204 0.86 P2RX7 (0.42) P2RX7TSHREPHX2KMT2AMEN1

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 7 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-20060217448-A1 e.g. 4-benzyl-N-[2-(2-chlorophenyl)ethyl]-4,7,9-triazabicyclo[4.4.0]deca-7,9,11-triene-10-carboxamide; antiinflammatory and analgesic agent; rheumatoid arthritis, osteoarthritis, Parkinson's disease, uveitis, asthma, cardiovascular conditions, myocardial infarction RENOVIS, INC. 2006-09-28 US 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 (2 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-20060217448-A1 e.g. 4-benzyl-N-[2-(2-chlorophenyl)ethyl]-4,7,9-triazabicyclo[4.4.0]deca-7,9,11-triene-10-carboxamide; antiinflammatory and analgesic agent; rheumatoid arthritis, osteoarthritis, Parkinson's disease, uveitis, asthma, cardiovascular conditions, myocardial infarction PARK7, UACA, PTGER4 P2RX7 1619/4885TSHR 2057/4885MET 4687/4885
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 P2RX7 1/4885TSHR 3850/4885MET 4499/4885

“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.