SCHEMBL5388709

SCHEMBL5388709

N#Cc1ccc(CCN(CC(F)(F)F)C(=O)CCCNCS(=O)(=O)c2cccc(Cl)c2Cl)cc1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.32
CNR1 P21554 2/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
TAS1R2 Q8TE23 1/20 0.31
CNR2 P34972 1/20 0.31
HK1 P19367 1/20 0.31
HK2 P52789 1/20 0.31
CTSS P25774 2/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
PPARG P37231 2/20 0.30

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
SCHEMBL5385476 0.90 MCHR1 (0.33) MCHR1CNR1TAS1R3TAS1R1TAS1R2
SCHEMBL5383629 0.89 CNR1 (0.34) MCHR1CNR1TAS1R3TAS1R1TAS1R2
SCHEMBL5390399 0.88 CA12 (0.35) MCHR1CNR1TAS1R3TAS1R1TAS1R2
SCHEMBL5385750 0.85 CNR1 (0.35) CNR1TAS1R3TAS1R1TAS1R2CNR2
SCHEMBL5393043 0.84 CNR1 (0.38) CNR1TAS1R3TAS1R1TAS1R2CNR2
SCHEMBL5388713 0.84 BDKRB1 (0.40) CNR1CNR2HK1HK2CA12
SCHEMBL5396944 0.84 BDKRB1 (0.47)
SCHEMBL5393893 0.83 LTB4R2 (0.38) CNR1CNR2
SCHEMBL5392223 0.83 MC4R (0.37) MCHR1CNR1CNR2
SCHEMBL5402475 0.80 CNR1 (0.35) CNR1TAS1R3TAS1R1TAS1R2CNR2

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-7291642-B2 Bradykinin-B1 antagonists, process for their preparation and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-06 US disclosed
US-20060100219-A1 Novel bradykinin-B1 antagonists, process for their preparation and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-05-11 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-20060100219-A1 Novel bradykinin-B1 antagonists, process for their preparation and their use as medicaments BDKRB1, BDKRB2, MRGPRX1 MCHR1 514/4885CNR1 69/4885TAS1R3 909/4885

“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.