SCHEMBL4989409

SCHEMBL4989409

COc1ccc(C(=O)N2CCc3c(ncnc3NC(=O)CC34CC5CC(CC(C5)C3)C4)C2)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.44
ABCB11 O95342 1/20 0.43
P2RX7 Q99572 3/20 0.43
LMNA P02545 3/20 0.42
MAPT P10636 1/20 0.42
PDE4B Q07343 1/20 0.40
PDE4D Q08499 1/20 0.40
PKM P14618 1/20 0.40
CNR2 P34972 1/20 0.40
NPC1 O15118 1/20 0.40
NPSR1 Q6W5P4 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
MEN1 O00255 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
POLB P06746 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
SCHEMBL4988493 0.93 NPC1 (0.43) MAPK1ABCB11P2RX7LMNAMAPT
SCHEMBL4988881 0.89 P2RX7 (0.49) ABCB11P2RX7ALDH1A1GPR55
SCHEMBL13532564 0.89 MAPK1 (0.46) MAPK1LMNAMAPTPDE4BPDE4D
SCHEMBL14272359 0.88 TSHR (0.51) MAPK1P2RX7LMNAMAPTPDE4B
SCHEMBL4984961 0.88 P2RX7 (0.49) ABCB11P2RX7PDE4BCNR2ALDH1A1
SCHEMBL4988891 0.88 P2RX7 (0.47) ABCB11P2RX7NPSR1ALDH1A1KMT2A
SCHEMBL4988062 0.87 ALDH1A1 (0.42) P2RX7LMNAALDH1A1KMT2AKDM4E
SCHEMBL4993440 0.87 ABCB11 (0.45) ABCB11P2RX7LMNAALDH1A1GPR55
SCHEMBL4992464 0.86 P2RX7 (0.48) P2RX7PDE4BCNR2NPC1ALDH1A1
SCHEMBL4988962 0.86 ABCB11 (0.43) ABCB11P2RX7ALDH1A1GPR55POLB

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 MAPK1 1996/4885ABCB11 4125/4885P2RX7 1619/4885
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 MAPK1 546/4885ABCB11 933/4885P2RX7 1/4885

“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.