SCHEMBL6507154

SCHEMBL6507154

N#Cc1cccc(N2CCC(CN)CC2)c1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.59
DRD3 P35462 3/20 0.59
NOTUM Q6P988 2/20 0.54
BPTF Q12830 1/20 0.52
CHRM4 P08173 5/20 0.48
C1S P09871 1/20 0.46
SLC2A1 P11166 1/20 0.43
SLC2A2 P11168 1/20 0.43
SLC2A3 P11169 1/20 0.43
NPY5R Q15761 1/20 0.43
ADAMTS5 Q9UNA0 1/20 0.42
DHFR P00374 1/20 0.42
KDM1A O60341 1/20 0.41
ALOX5 P09917 1/20 0.41

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
SCHEMBL30194608 0.92 BPTF (0.64) DRD2DRD3NOTUMBPTFCHRM4
SCHEMBL25080895 0.92 BPTF (0.64) DRD2DRD3NOTUMBPTFCHRM4
SCHEMBL30309908 0.92 BPTF (0.64) DRD2DRD3NOTUMBPTFCHRM4
SCHEMBL29012566 0.92 BPTF (0.64) DRD2DRD3NOTUMBPTFCHRM4
SCHEMBL3051168 0.83 DRD2 (0.64) DRD2DRD3NOTUMCHRM4C1S
SCHEMBL6445604 0.82 MGLL (0.58) DRD2DRD3NOTUMCHRM4
SCHEMBL15800697 0.81 DRD2 (0.79) DRD2DRD3NOTUMC1SSLC2A1
SCHEMBL12367085 0.80 DRD2 (0.64) DRD2DRD3NOTUMCHRM4C1S
SCHEMBL2732722 0.80 DRD2 (0.64) DRD2DRD3NOTUMCHRM4C1S
SCHEMBL25080875 0.80 NOTUM (0.59) DRD2DRD3NOTUMBPTFCHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050080113-A1 Medicinal compositions TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-14 US disclosed
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 (2 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-20050080113-A1 Medicinal compositions TNF, TRAF6, MMP8 DRD2 4765/4885DRD3 4571/4885NOTUM 3437/4885
US-20050059669-A1 M-substituted benzoic acid derivatives having integrin alpha v beta 3 antagonistic activity ITGAV, ITGB3, ITGA4 DRD2 796/4885DRD3 514/4885NOTUM 4092/4885

“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.