SCHEMBL3140922

SCHEMBL3140922

Cc1ccnc(N2CCN(CCN)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 7/20 0.53
DRD2 P14416 5/20 0.53
DRD3 P35462 4/20 0.53
DPP4 P27487 1/20 0.51
PIK3C3 Q8NEB9 1/20 0.50
KCNH2 Q12809 1/20 0.48
ALOX5 P09917 2/20 0.47
ALDH1A1 P00352 3/20 0.47
GRIN2D O15399 1/20 0.47
GRIN3B O60391 1/20 0.47
GRIN1 Q05586 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2B Q13224 1/20 0.47
GRIN2C Q14957 1/20 0.47
GRIN3A Q8TCU5 1/20 0.47
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
CCR1 P32246 1/20 0.43
CCR5 P51681 1/20 0.43
CCR8 P51685 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
SCHEMBL16131999 0.85 DRD4 (0.53) DRD4DRD2DRD3KCNH2ALOX5
SCHEMBL18949715 0.83 GRIN2D (0.60) DRD4DRD2DRD3ALDH1A1GRIN2D
SCHEMBL15345047 0.83 DRD4 (0.50) DRD4DRD2DRD3KCNH2ALOX5
SCHEMBL10196855 0.80 HRH4 (0.61) DRD4DRD2DRD3ALDH1A1GRIN2D
SCHEMBL9725103 0.78 ADRB1 (0.59) DRD2DRD3DPP4PIK3C3ALDH1A1
SCHEMBL31415288 0.77 GRIN2D (0.57) DRD4DRD2DRD3ALDH1A1GRIN2D
SCHEMBL12059087 0.77 GRIN2D (0.57) DRD4DRD2DRD3ALDH1A1GRIN2D
SCHEMBL4554066 0.77 GRIN2D (0.57) DRD4DRD2DRD3ALDH1A1GRIN2D
SCHEMBL4772858 0.77 CHRM4 (0.50) DRD4KCNH2GRIN2DGRIN3BGRIN1
SCHEMBL1307947 0.76 KCNH2 (0.64) DRD4DRD2DRD3KCNH2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074083-B1 NEW SULFONAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS RICHTER GEDEON NYRT (HU) 2013-06-19 EP disclosed
CN-101528681-B New sulfonamide derivatives as bradykinin antagonists RITCHER GEDEON NYRT 2013-01-30 CN disclosed
US-20100075978-A1 SULFONAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS RICHTER GEDEON NYRT. (HU) 2010-03-25 US disclosed
CN-101528681-A New sulfonamide derivatives as bradykinin antagonists RITCHER GEDEON NYRT (HU) 2009-09-09 CN disclosed
EP-2074083-A1 NEW SULFONAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS Richter Gedeon NYRT (HU) 2009-07-01 EP disclosed
WO-2008050168-A1 NEW SULFONAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS RICHTER GEDEON NYRT. (HU) 2008-05-02 WO 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-20100075978-A1 SULFONAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS BDKRB1, BDKRB2, TRPV1 DRD4 820/4885DRD2 424/4885DRD3 467/4885

“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.