SCHEMBL8376129

SCHEMBL8376129

CC(C)[C@H]1Cc2cccnc2C1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
GRM4 Q14833 1/20 0.35
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
IDH1 O75874 2/20 0.34
NAMPT P43490 2/20 0.33
CYP2D6 P10635 2/20 0.33
TNKS2 Q9H2K2 2/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
TNKS O95271 1/20 0.31
PARP1 P09874 1/20 0.30
PARP2 Q9UGN5 1/20 0.30

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
SCHEMBL2669660 1.00 DRD2 (0.41) DRD2DRD3GRM4DPP8DPP9
SCHEMBL1615480 0.84 DRD2 (0.51) DRD2DRD3GRM4IDH1NAMPT
SCHEMBL12907276 0.84 DRD2 (0.41) DRD2DRD3GRM4IDH1NAMPT
SCHEMBL20132541 0.82 CYP2D6 (0.42) DRD2DRD3GRM4IDH1CYP2D6
SCHEMBL1614621 0.81 DRD2 (0.41) DRD2DRD3DPP8DPP9IDH1
SCHEMBL14452400 0.81 DRD2 (0.41) DRD2DRD3DPP8DPP9IDH1
SCHEMBL13986823 0.77 DRD2 (0.38) DRD2DRD3GRM4DPP8DPP9
SCHEMBL30298338 0.75 IDO1 (0.41) DRD3
SCHEMBL11467676 0.75 IDO1 (0.41) DRD3
SCHEMBL16595228 0.75 DRD2 (0.34) DRD2DRD3NAMPT

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-8048862-B2 Macrocyclic inhibitors of hepatitis C virus replication INTERMUNE, INC. (US) 2011-11-01 US disclosed
US-20090269305-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-10-29 US disclosed

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-20090269305-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 DRD2 4772/4885DRD3 4723/4885GRM4 4608/4885

“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.