SCHEMBL4989370

SCHEMBL4989370

CN(C)c1ccc(CN2CCc3[c]nc(C(N)=O)nc3C2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
TNF P01375 1/20 0.42
NOD2 Q9HC29 1/20 0.42
NOD1 Q9Y239 1/20 0.42
HSP90AB1 P08238 1/20 0.41
OPRM1 P35372 1/20 0.39
OPRK1 P41145 1/20 0.39
PARP1 P09874 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35

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
SCHEMBL4989367 0.88 MEN1 (0.40) ALDH1A1KDM4ENOD1PARP1MEN1
SCHEMBL4992359 0.87 MEN1 (0.41) TNFNOD2NOD1HSP90AB1MEN1
SCHEMBL4988549 0.86 GRM2 (0.43) ALDH1A1KDM4ETNFNOD2NOD1
SCHEMBL4992456 0.86 MEN1 (0.40) ALDH1A1KDM4ETNFNOD2NOD1
SCHEMBL4984714 0.86 KMT2A (0.44) ALDH1A1KDM4EOPRM1OPRK1PARP1
SCHEMBL4985321 0.85 CFTR (0.44) TNFNOD2NOD1OPRM1OPRK1
SCHEMBL4980850 0.85 OPRM1 (0.39) ALDH1A1KDM4EOPRM1OPRK1MEN1
SCHEMBL4985463 0.85 GRM2 (0.39) KDM4EPARP1MEN1KMT2AGRM2
SCHEMBL4986796 0.84 MEN1 (0.44) ALDH1A1KDM4ETNFNOD2NOD1
SCHEMBL4988951 0.84 PRKAA2 (0.40) ALDH1A1MEN1KMT2AMAPK1GRM2

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 2 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
US-7297700-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2007-11-20 US claimed

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 ALDH1A1 3640/4885KDM4E 4128/4885TNF 526/4885

“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.