SCHEMBL4986796

SCHEMBL4986796

CCOc1ccc(CN2CCc3[c]nc(C(N)=O)nc3C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.44
TNF P01375 1/20 0.44
RAB9A P51151 1/20 0.44
NOD2 Q9HC29 1/20 0.44
NOD1 Q9Y239 1/20 0.44
KDM4E B2RXH2 3/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 3/20 0.41
TP53 P04637 1/20 0.41
THRB P10828 1/20 0.41
ACACB O00763 2/20 0.41
ALDH1A1 P00352 2/20 0.40
FAAH O00519 1/20 0.40
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.40
ABCB1 P08183 1/20 0.39
CACNA1B Q00975 1/20 0.39

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
SCHEMBL4985321 0.91 CFTR (0.44) TNFNOD2NOD1SMN1; SMN2MAPT
SCHEMBL4985480 0.89 FAAH (0.43) MEN1KMT2ANPC1TNFRAB9A
SCHEMBL4989367 0.87 MEN1 (0.40) MEN1KMT2ANOD1KDM4ELMNA
SCHEMBL4989374 0.87 HRH3 (0.43) MEN1KMT2AFAAHABCB1CFTR
SCHEMBL4980823 0.86 HRH3 (0.49) NPC1RAB9AS1PR5
SCHEMBL4992359 0.86 MEN1 (0.41) MEN1KMT2ATNFNOD2NOD1
SCHEMBL4987928 0.86 TNF (0.44) TNFNOD2NOD1MAPTACACB
SCHEMBL4990759 0.86 GRM2 (0.40) MEN1KMT2AACACBALDH1A1ABCB1
SCHEMBL4988549 0.85 GRM2 (0.43) MEN1KMT2ATNFRAB9ANOD2
SCHEMBL4992456 0.85 MEN1 (0.40) MEN1KMT2ATNFNOD2NOD1

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 MEN1 4853/4885KMT2A 4614/4885NPC1 2233/4885

“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.