SCHEMBL6504244

SCHEMBL6504244

N#Cc1cccc(N2CCC(CNc3ncccn3)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 3/20 0.53
DRD2 P14416 3/20 0.52
DRD3 P35462 2/20 0.52
HRH4 Q9H3N8 1/20 0.46
NOTUM Q6P988 1/20 0.46
CHRM4 P08173 4/20 0.45
GRIN2B Q13224 3/20 0.45
SLC2A1 P11166 1/20 0.44
SLC2A2 P11168 1/20 0.44
SLC2A3 P11169 1/20 0.44
GRM5 P41594 1/20 0.43
TP53 P04637 1/20 0.43
PDE4D Q08499 1/20 0.43

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
SCHEMBL6498399 0.78 KDM4E (0.52) VNN1GRIN2B
SCHEMBL6507154 0.77 DRD2 (0.59) DRD2DRD3NOTUMCHRM4SLC2A1
SCHEMBL6445604 0.74 MGLL (0.58) DRD2DRD3NOTUMCHRM4
SCHEMBL6497130 0.73 NOTUM (0.48) DRD2DRD3NOTUMGRM5TP53
SCHEMBL6498980 0.73 NOTUM (0.48) DRD2DRD3NOTUMGRM5TP53
SCHEMBL15800697 0.72 DRD2 (0.79) DRD2DRD3NOTUMSLC2A1SLC2A2
SCHEMBL3051168 0.72 DRD2 (0.64) DRD2DRD3NOTUMCHRM4SLC2A1
SCHEMBL2732722 0.72 DRD2 (0.64) DRD2DRD3NOTUMCHRM4SLC2A1
SCHEMBL12367085 0.72 DRD2 (0.64) DRD2DRD3NOTUMCHRM4SLC2A1
SCHEMBL25080895 0.72 BPTF (0.64) DRD2DRD3NOTUMCHRM4

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-20050059669-A1 M-substituted benzoic acid derivatives having integrin alpha v beta 3 antagonistic activity AJITO KEIICHI (JP) 2005-03-17 US disclosed
EP-1229024-A1 m-SUBSTITUTED BENZOIC ACID DERIVATIVES EXHIBITING INTEGRIN ALPHA-V BETA-3 ANTAGONISM MEIJI SEIKA KAISHA LTD. (JP) 2002-08-07 EP 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-20050059669-A1 M-substituted benzoic acid derivatives having integrin alpha v beta 3 antagonistic activity ITGAV, ITGB3, ITGA4 VNN1 1029/4885DRD2 796/4885DRD3 514/4885

“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.