SCHEMBL4985157

SCHEMBL4985157

CC(C)CCN1CCc2c(N)ncnc2C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.39
GRIA2 P42262 1/20 0.39
GRIA3 P42263 1/20 0.39
GRIA4 P48058 1/20 0.39
GRM5 P41594 1/20 0.38
CYP3A4 P08684 4/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP2C9 P11712 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP2D6 P10635 1/20 0.34
LIMK1 P53667 1/20 0.34
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32
PRKDC P78527 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32

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
SCHEMBL4991248 0.85 GNRHR (0.36) LIMK1OPRM1OPRD1OPRK1SIGMAR1
SCHEMBL4985387 0.84 DRD2 (0.43) LIMK1DRD2DRD4DRD3
SCHEMBL4982902 0.82 ADORA2A (0.40) GRM5SIGMAR1DRD2DRD3
SCHEMBL4989502 0.81 RAD52 (0.42) CYP3A4MEN1KMT2ALIMK1
SCHEMBL4988741 0.81 KDR (0.44)
SCHEMBL4986063 0.80 LIMK1 (0.32) GRIA1GRIA2GRIA3GRIA4LIMK1
SCHEMBL4989114 0.78 COMT (0.35) LIMK1OPRM1OPRD1OPRK1
SCHEMBL4986780 0.77 PI4KA (0.39) CYP3A4MEN1KMT2ALIMK1SIGMAR1
SCHEMBL4992460 0.76 FYN (0.45) KMT2ALIMK1
SCHEMBL4980900 0.75 P2RX3 (0.39) MEN1KMT2A

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 GRIA1 793/4885GRIA2 902/4885GRIA3 609/4885

“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.