SCHEMBL4985154

SCHEMBL4985154

CC(C)CCN1CCc2[c]nc(C(N)=O)nc2C1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.36
CYP3A4 P08684 4/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP2D6 P10635 1/20 0.35
OPRM1 P35372 2/20 0.35
OPRD1 P41143 2/20 0.35
OPRK1 P41145 2/20 0.35
CYP2C9 P11712 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 2/20 0.32
PARP1 P09874 2/20 0.32
GRIA1 P42261 1/20 0.31
GRIA2 P42262 1/20 0.31
GRIA3 P42263 1/20 0.31
GRIA4 P48058 1/20 0.31

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
SCHEMBL4991245 0.87 OPRM1 (0.38) OPRM1OPRD1OPRK1
SCHEMBL4985381 0.86 PARP1 (0.33) ALDH1A1PARP1
SCHEMBL4982898 0.84 CNR2 (0.35) GRM5OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL4989498 0.84 MAPT (0.39) GRM5CYP3A4MEN1KMT2ACYP2D6
SCHEMBL4988738 0.83 CNR2 (0.39) GRM5OPRM1OPRD1OPRK1
SCHEMBL4989112 0.81 OPRM1 (0.35) OPRM1OPRD1OPRK1
SCHEMBL4980898 0.81 DPP4 (0.34) PARP1
SCHEMBL4986773 0.81 C5AR1 (0.35)
SCHEMBL4983866 0.78 GRM2 (0.33) OPRM1OPRK1PARP1
SCHEMBL4992453 0.78 KMT2A (0.43) GRM5KMT2AOPRM1OPRD1OPRK1

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 GRM5 231/4885CYP3A4 1221/4885MEN1 4853/4885

“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.