SCHEMBL3145151

SCHEMBL3145151

O=C(NCCCN1CCN(c2ccncc2)CC1)c1ccc(S(=O)(=O)Nc2cc(F)ccc2Oc2ccc(Br)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 3/20 0.48
DRD2 P14416 2/20 0.48
DRD3 P35462 2/20 0.48
ALDH1A1 P00352 3/20 0.47
HRH3 Q9Y5N1 1/20 0.46
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.45
LMNA P02545 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL3153343 0.92 DRD2 (0.54) DRD2DRD3ALDH1A1KDM4EPKM
SCHEMBL3138029 0.85 CCR2 (0.53) CCR2DRD2DRD3
SCHEMBL3145416 0.83 DRD4 (0.52) CCR2DRD3
SCHEMBL3140012 0.83 CCR2 (0.53) CCR2DRD2DRD3ALDH1A1KDM4E
SCHEMBL3141034 0.83 CCR2 (0.54) CCR2ALDH1A1
SCHEMBL3139271 0.82 DRD4 (0.52) CCR2DRD2DRD3ALDH1A1NPSR1
SCHEMBL3054207 0.81 OPRM1 (0.49) DRD2DRD3ALDH1A1HRH3KDM4E
SCHEMBL3153470 0.81 CCR2 (0.50) CCR2DRD2DRD3ALDH1A1KDM4E
SCHEMBL3153114 0.81 CCR2 (0.51) CCR2PKM
SCHEMBL3145161 0.79 DRD2 (0.49) DRD2DRD3HRH3

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
EP-2074083-B1 NEW SULFONAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS RICHTER GEDEON NYRT (HU) 2013-06-19 EP claimed
US-20100075978-A1 SULFONAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS RICHTER GEDEON NYRT. (HU) 2010-03-25 US claimed
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 CCR2 417/4885DRD2 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.