SCHEMBL4986777

SCHEMBL4986777

COCCC(=O)N1CCc2c(ncnc2NC(=O)CC23CC4CC(CC(C4)C2)C3)C1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 3/20 0.41
ALOX12 P18054 1/20 0.41
P2RX7 Q99572 5/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GPR55 Q9Y2T6 1/20 0.37
EPHX2 P34913 3/20 0.37
GAA P10253 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL4988691 0.91 TSHR (0.42) TSHRALDH1A1ALOX12P2RX7MEN1
SCHEMBL4985425 0.88 TSHR (0.44) KDM4ETSHRALDH1A1ALOX12P2RX7
SCHEMBL4989439 0.86 TSHR (0.46) TSHRALDH1A1ALOX12P2RX7MEN1
SCHEMBL4992166 0.85 TSHR (0.42) TSHRALDH1A1ALOX12P2RX7MEN1
SCHEMBL4989503 0.85 TSHR (0.42) TSHRALDH1A1ALOX12P2RX7MEN1
SCHEMBL4991314 0.85 TSHR (0.42) TSHRALDH1A1ALOX12P2RX7MEN1
SCHEMBL4990836 0.84 ALDH1A1 (0.46) TSHRALDH1A1ALOX12P2RX7MEN1
SCHEMBL4992054 0.84 P2RX7 (0.46) TSHRALDH1A1ALOX12P2RX7MEN1
SCHEMBL4991956 0.83 TSHR (0.43) TSHRALDH1A1ALOX12P2RX7MEN1
SCHEMBL4987963 0.83 TSHR (0.40) KDM4ETSHRALDH1A1P2RX7MEN1

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 KDM4E 2655/4885TSHR 2057/4885ALDH1A1 1289/4885
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 KDM4E 4128/4885TSHR 3850/4885ALDH1A1 3640/4885

“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.