SCHEMBL4987928

SCHEMBL4987928

NC(=O)c1n[c]c2c(n1)CN(Cc1ccc(OC(F)(F)F)cc1)CC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.44
NOD2 Q9HC29 1/20 0.44
NOD1 Q9Y239 1/20 0.44
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
ACACB O00763 1/20 0.41
GPBAR1 Q8TDU6 4/20 0.40
LSS P48449 1/20 0.39
KCNH2 Q12809 1/20 0.39
PHGDH O43175 1/20 0.38
TEAD1 P28347 3/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
DRD4 P21917 2/20 0.38
NAMPT P43490 1/20 0.38
DRD2 P14416 1/20 0.38
HTR2C P28335 1/20 0.38
CXCR3 P49682 1/20 0.38
BCHE P06276 1/20 0.37
ACHE P22303 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
SCHEMBL4993429 0.89 DRD4 (0.42) DRD4DRD2
SCHEMBL4983033 0.87 GRM2 (0.41) ALDH1A1ACACB
SCHEMBL4985321 0.87 CFTR (0.44) TNFNOD2NOD1KCNH2POLB
SCHEMBL4990759 0.86 GRM2 (0.40) ALDH1A1ACACBKCNH2POLB
SCHEMBL4986796 0.86 MEN1 (0.44) TNFNOD2NOD1ALDH1A1ACACB
SCHEMBL4988549 0.86 GRM2 (0.43) TNFNOD2NOD1ALDH1A1
SCHEMBL4989374 0.85 HRH3 (0.43)
SCHEMBL4980823 0.85 HRH3 (0.49) POLB
SCHEMBL4992359 0.84 MEN1 (0.41) TNFNOD2NOD1ACACBPOLB
SCHEMBL4992456 0.83 MEN1 (0.40) TNFNOD2NOD1ALDH1A1ACACB

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 TNF 526/4885NOD2 25/4885NOD1 33/4885

“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.