SCHEMBL17486805

SCHEMBL17486805

CN(C)C(=O)CCc1ccc(C(=O)c2cccs2)n1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 3/20 0.49
HPGD P15428 4/20 0.42
TSHR P16473 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
HPGDS O60760 1/20 0.41
LMNA P02545 4/20 0.40
MEN1 O00255 3/20 0.40
ALDH1A1 P00352 3/20 0.40
POLB P06746 3/20 0.40
KMT2A Q03164 3/20 0.40
PGR P06401 1/20 0.39
HTT P42858 2/20 0.38
ALOX5 P09917 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GFER P55789 3/20 0.37
USP2 O75604 2/20 0.37

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
SCHEMBL17486809 0.87 BDKRB2 (0.47) BDKRB2HPGDTSHRNPC1RAB9A
SCHEMBL11446810 0.85 BDKRB2 (0.43) BDKRB2HPGDTSHRNPC1RAB9A
SCHEMBL11814111 0.82 ALDH1A1 (0.47) BDKRB2HPGDTSHRNPC1RAB9A
SCHEMBL17486794 0.80 CXCL8 (0.48) BDKRB2HPGDNPC1RAB9APOLB
SCHEMBL11446809 0.78 HPGD (0.42) BDKRB2HPGDTSHRNPC1RAB9A
SCHEMBL7684987 0.77 PTGS1 (0.57) BDKRB2HPGDTSHRNPC1RAB9A
SCHEMBL11809650 0.76 CXCL8 (0.43) BDKRB2HPGDTSHRNPC1RAB9A
SCHEMBL7674645 0.75 PGR (0.46) HPGDTSHRNPC1RAB9AHPGDS
SCHEMBL11814511 0.74 ALDH1A1 (0.48) BDKRB2HPGDTSHRNPC1RAB9A
SCHEMBL17489411 0.74 BDKRB2 (0.52) BDKRB2HPGDNPC1RAB9ALMNA

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 111/4885TSHR 1496/4885

“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.