SCHEMBL3154017

SCHEMBL3154017

Cc1cccc(N2CCN(CCNC(=O)c3ccc(S(=O)(=O)Nc4ccccc4Oc4ccc(Br)cc4)cc3)CC2)n1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.52
DRD3 P35462 5/20 0.52
HTR2A P28223 5/20 0.52
CCR2 P41597 9/20 0.47
DRD4 P21917 2/20 0.44
DRD2 P14416 1/20 0.44
HTR2C P28335 2/20 0.44
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MCHR1 Q99705 1/20 0.42

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
SCHEMBL3153470 0.93 CCR2 (0.50) HTR1ADRD3HTR2ACCR2DRD4
SCHEMBL3150162 0.89 CCR2 (0.56) HTR1ADRD3HTR2ACCR2ALDH1A1
SCHEMBL3148937 0.89 DRD4 (0.51) DRD3CCR2DRD4DRD2SMN1; SMN2
SCHEMBL3154547 0.87 DRD4 (0.54) HTR1ADRD3CCR2DRD4DRD2
SCHEMBL3149584 0.86 CCR2 (0.50) DRD3CCR2DRD4DRD2SMN1; SMN2
SCHEMBL3139591 0.85 CCR2 (0.52) HTR1ADRD3HTR2ACCR2ALDH1A1
SCHEMBL3145416 0.83 DRD4 (0.52) HTR1ADRD3CCR2DRD4SMN1; SMN2
SCHEMBL3145283 0.81 CCR2 (0.49) CCR2MCHR1
SCHEMBL3153343 0.81 DRD2 (0.54) DRD3DRD4DRD2ALDH1A1
SCHEMBL3139271 0.80 DRD4 (0.52) DRD3CCR2DRD4DRD2USP2

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
EP-2074083-B1 NEW SULFONAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS RICHTER GEDEON NYRT (HU) 2013-06-19 EP disclosed
US-20100075978-A1 SULFONAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS RICHTER GEDEON NYRT. (HU) 2010-03-25 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-20100075978-A1 SULFONAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS BDKRB1, BDKRB2, TRPV1 HTR1A 709/4885DRD3 467/4885HTR2A 985/4885

“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.