SCHEMBL17486809

SCHEMBL17486809

CN(C)C(=O)Cc1ccc(C(=O)c2cccs2)n1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 3/20 0.47
HPGD P15428 5/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
TSHR P16473 1/20 0.44
HPGDS O60760 1/20 0.43
PTGS1 P23219 3/20 0.41
PTGS2 P35354 3/20 0.41
CXCL8 P10145 1/20 0.41
AKR1B1 P15121 1/20 0.41
GLO1 Q04760 1/20 0.41
PGR P06401 1/20 0.40
HTT P42858 1/20 0.40
ALOX5 P09917 1/20 0.40
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
USP2 O75604 1/20 0.39

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
SCHEMBL17486805 0.87 BDKRB2 (0.49) BDKRB2HPGDNPC1RAB9ATSHR
SCHEMBL7684987 0.85 PTGS1 (0.57) BDKRB2HPGDNPC1RAB9ATSHR
SCHEMBL11809650 0.83 CXCL8 (0.43) BDKRB2HPGDNPC1RAB9ATSHR
SCHEMBL11814511 0.82 ALDH1A1 (0.48) BDKRB2HPGDNPC1RAB9ATSHR
SCHEMBL17486803 0.79 CXCL8 (0.57) BDKRB2HPGDNPC1RAB9APTGS1
SCHEMBL7674645 0.77 PGR (0.46) HPGDNPC1RAB9ATSHRHPGDS
SCHEMBL11446810 0.77 BDKRB2 (0.43) BDKRB2HPGDNPC1RAB9ATSHR
SCHEMBL11808758 0.75 CXCL8 (0.72) BDKRB2HPGDPTGS1PTGS2CXCL8
SCHEMBL11446809 0.75 HPGD (0.42) BDKRB2HPGDNPC1RAB9ATSHR
SCHEMBL11814111 0.74 ALDH1A1 (0.47) BDKRB2HPGDNPC1RAB9ATSHR

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
US-20160030416-A1 METHODS OF TREATING B2-BRADYKININ RECEPTOR MEDIATED ANGIOEDEMA SHIRE HUMAN GENETIC THERAPIES, INC. 2016-02-04 US disclosed
US-20160030416-A1 METHODS OF TREATING B2-BRADYKININ RECEPTOR MEDIATED ANGIOEDEMA SHIRE HUMAN GENETIC THERAPIES, INC. 2016-02-04 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-20160030416-A1 METHODS OF TREATING B2-BRADYKININ RECEPTOR MEDIATED ANGIOEDEMA BDKRB2, BDKRB1, HRH2 BDKRB2 1/4885HPGD 111/4885NPC1 1706/4885

“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.