SCHEMBL4986044

SCHEMBL4986044

NC(=O)c1n[c]c2c(n1)CN(S(=O)(=O)c1ccccc1Cl)CC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 6/20 0.39
CHRM4 P08173 4/20 0.38
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
GBA1 P04062 1/20 0.36
CCR1 P32246 1/20 0.36
EPHX2 P34913 1/20 0.36
LIPE Q05469 1/20 0.36
ESR1 P03372 2/20 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
SCHEMBL4986058 0.89 USP2 (0.46)
SCHEMBL4992334 0.88 CNR1 (0.41) CCR1
SCHEMBL4985355 0.87 EPHX2 (0.37) HDAC3HDAC1HDAC2HDAC6GBA1
SCHEMBL4988076 0.87 KMT2A (0.49) EPHX2
SCHEMBL4991400 0.87 EPHX2 (0.41) FAAHEPHX2
SCHEMBL4985233 0.85 TRPV4 (0.40)
SCHEMBL4992135 0.85 ATM (0.41) GBA1
SCHEMBL4988600 0.85 ALDH1A1 (0.49) EPHX2
SCHEMBL4988448 0.84 MEN1 (0.45) GBA1ESR2
SCHEMBL4993377 0.84 KMT2A (0.43)

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 FAAH 494/4885CHRM4 445/4885JAK2 2942/4885

“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.