SCHEMBL6501263

SCHEMBL6501263

N#Cc1cccc(N2CCC[C@H](N)C2)c1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.56
DRD2 P14416 9/20 0.54
DRD3 P35462 8/20 0.54
MAP4K1 Q92918 3/20 0.53
PRKCQ Q04759 2/20 0.53
LRRK2 Q5S007 1/20 0.53
DPP4 P27487 3/20 0.47
ALOX5 P09917 1/20 0.43
C1S P09871 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
SCHEMBL6496702 1.00 NOTUM (0.56) NOTUMDRD2DRD3MAP4K1PRKCQ
SCHEMBL21624920 0.91 NOTUM (0.63) NOTUMDRD2DRD3MAP4K1PRKCQ
SCHEMBL21624919 0.91 NOTUM (0.63) NOTUMDRD2DRD3MAP4K1PRKCQ
SCHEMBL7051829 0.82 TRPC6 (0.52) MAP4K1PRKCQLRRK2
SCHEMBL7471234 0.82 TRPC6 (0.52) MAP4K1PRKCQLRRK2
SCHEMBL3051168 0.82 DRD2 (0.64) NOTUMDRD2DRD3MAP4K1ALOX5
SCHEMBL29809089 0.80 DRD2 (0.74) NOTUMDRD2DRD3LRRK2ALOX5
SCHEMBL3537217 0.80 DRD2 (0.74) NOTUMDRD2DRD3LRRK2ALOX5
SCHEMBL28249062 0.80 NOTUM (0.53) NOTUMDRD2DRD3ALOX5
SCHEMBL4828838 0.79 CHRNB2 (0.56) MAP4K1PRKCQLRRK2DPP4

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 NOTUM 4092/4885DRD2 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.