SCHEMBL17077315

SCHEMBL17077315

O=C(O)NC1CCC(n2cnc(-c3ccc(F)cc3)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 5/20 0.43
KDM2B Q8NHM5 1/20 0.42
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
CRHR1 P34998 1/20 0.40
CRHR2 Q13324 1/20 0.40
HPGDS O60760 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
DPP4 P27487 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 1/20 0.39
FGFR3 P22607 1/20 0.38
KDR P35968 1/20 0.38
VCP P55072 1/20 0.38
CNR1 P21554 1/20 0.38

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
SCHEMBL17077311 1.00 GRIN2B (0.43) GRIN2BKDM2BDRD2DRD4DRD3
SCHEMBL16986225 0.85 HPGDS (0.43) GRIN2BKDM2BDRD2DRD4DRD3
SCHEMBL16986223 0.85 HPGDS (0.43) GRIN2BKDM2BDRD2DRD4DRD3
SCHEMBL15830635 0.84 DRD2 (0.50) KDM2BDRD2DRD4DRD3NPC1
SCHEMBL16995034 0.83 JAK1 (0.45) HPGDS
SCHEMBL15824772 0.80 KDM2B (0.49) KDM2BDRD2DRD4DRD3LMNA
SCHEMBL16986289 0.76 KDM2B (0.41) GRIN2BKDM2BDRD2DRD4DRD3
SCHEMBL16986291 0.76 KDM2B (0.41) GRIN2BKDM2BDRD2DRD4DRD3
SCHEMBL30716678 0.76 DRD2 (0.43) KDM2BDRD2DRD4DRD3TP53
SCHEMBL16986292 0.75 SSTR4 (0.41) GRIN2BKDM2BDRD2DRD4DRD3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150259344-A1 IMIDAZOLE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2015-09-17 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-20150259344-A1 IMIDAZOLE DERIVATIVE CHRNA4, CHRNB4, CHRNA7 GRIN2B 88/4885KDM2B 628/4885DRD2 581/4885

“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.