SCHEMBL2905205

SCHEMBL2905205

O=C(N[C@H](CO)C(=O)N1CCC(CCN2CCCC2)CC1)c1ccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 7/20 0.42
F2 P00734 1/20 0.41
F10 P00742 1/20 0.41
PLG P00747 1/20 0.41
PLAU P00749 1/20 0.41
ST14 Q9Y5Y6 1/20 0.41
KMT2A Q03164 3/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
CACNA1H O95180 1/20 0.40
CACNA1B Q00975 1/20 0.40
MEN1 O00255 2/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CHRM4 P08173 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LIMK2 P53671 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38

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
SCHEMBL2905209 1.00 CCR2 (0.42) CCR2F2F10PLGPLAU
SCHEMBL3751375 1.00 CCR2 (0.42) CCR2F2F10PLGPLAU
SCHEMBL3754021 0.91 CCR2 (0.42) CCR2F2F10PLGPLAU
SCHEMBL2924675 0.91 CCR2 (0.42) CCR2F2F10PLGPLAU
SCHEMBL2924677 0.91 CCR2 (0.42) CCR2F2F10PLGPLAU
SCHEMBL2897997 0.90 CHRM4 (0.44) CCR2F2F10PLGPLAU
SCHEMBL2903664 0.90 CHRM4 (0.44) CCR2F2F10PLGPLAU
SCHEMBL2898000 0.90 CHRM4 (0.44) CCR2F2F10PLGPLAU
SCHEMBL3277546 0.86 CCR2 (0.47) CCR2KMT2ACNR1CNR2CACNA1H
SCHEMBL3753867 0.84 CCR2 (0.42) CCR2KMT2ACNR1CNR2CACNA1H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298299-A1 NON-PEPTIDE DERIVATIVES AS BRADYKININ B1 ANTAGONISTS RICHTER GEDEON NYRT. (HU) 2010-11-25 US claimed
EP-2215055-A1 NEW NON-PEPTIDE DERIVATIVES AS BRADYKININ B1 ANTAGONISTS Richter Gedeon Nyrt. (HU) 2010-08-11 EP claimed
WO-2009053763-A1 NEW NON-PEPTIDE DERIVATIVES AS BRADYKININ BL ANTAGONISTS RICHTER GEDEON NYRT. (HU) 2009-04-30 WO claimed
US-20100298299-A1 NON-PEPTIDE DERIVATIVES AS BRADYKININ B1 ANTAGONISTS RICHTER GEDEON NYRT. (HU) 2010-11-25 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-20100298299-A1 NON-PEPTIDE DERIVATIVES AS BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, NPBWR1 CCR2 611/4885F2 66/4885F10 319/4885

“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.