SCHEMBL3138029

SCHEMBL3138029

O=C(NCCN1CCN(c2ncccn2)CC1)c1ccc(S(=O)(=O)Nc2cc(F)ccc2Oc2ccc(Br)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 12/20 0.53
KCNH2 Q12809 1/20 0.45
MCHR1 Q99705 1/20 0.44
DRD2 P14416 2/20 0.44
HTR1A P08908 1/20 0.44
DRD3 P35462 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
SCHEMBL3149584 0.92 CCR2 (0.50) CCR2DRD2DRD3
SCHEMBL3145416 0.92 DRD4 (0.52) CCR2HTR1ADRD3
SCHEMBL3153114 0.89 CCR2 (0.51) CCR2KCNH2MCHR1
SCHEMBL3139271 0.88 DRD4 (0.52) CCR2KCNH2MCHR1DRD2DRD3
SCHEMBL3153470 0.86 CCR2 (0.50) CCR2MCHR1DRD2HTR1ADRD3
SCHEMBL3139293 0.86 CCR2 (0.51) CCR2HTR1A
SCHEMBL3145151 0.85 CCR2 (0.48) CCR2DRD2DRD3
SCHEMBL3155058 0.85 CCR2 (0.49) CCR2KCNH2DRD2HTR1A
SCHEMBL3148937 0.85 DRD4 (0.51) CCR2DRD2DRD3
SCHEMBL3153707 0.85 CCR2 (0.53) CCR2KCNH2HTR1A

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 CCR2 417/4885KCNH2 80/4885MCHR1 585/4885

“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.