SCHEMBL5393153

SCHEMBL5393153

CN(CCc1ccc(C2=NCCN2C(=O)O)cc1)C(=O)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 5/20 0.42
LTB4R2 Q9NPC1 4/20 0.42
THRB P10828 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPY5R Q15761 1/20 0.38
POLB P06746 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MCHR1 Q99705 1/20 0.36
F13A1 P00488 1/20 0.36
TGM2 P21980 1/20 0.36
TGM1 P22735 1/20 0.36

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
SCHEMBL5111903 0.89 CHRNB2 (0.42) THRBSIGMAR1MEN1KMT2AMAPT
SCHEMBL14357354 0.88 LTB4R (0.38) LTB4RLTB4R2THRBSIGMAR1MEN1
SCHEMBL5115000 0.85 BCHE (0.41) THRBKMT2A
SCHEMBL5119254 0.79 PTGDR2 (0.38) THRBSIGMAR1MEN1KMT2AKDM4E
SCHEMBL13181407 0.79 LTB4R (0.56) LTB4RLTB4R2MAPTNPY5RALDH1A1
SCHEMBL5388723 0.79 TAAR1 (0.39) LTB4RLTB4R2SIGMAR1MEN1KMT2A
SCHEMBL5393160 0.78 CA1 (0.39) THRBMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL12162029 0.78 GPR119 (0.39) THRBSIGMAR1MEN1KMT2ASMN1; SMN2
SCHEMBL23291183 0.77 LTB4R (0.54) LTB4RLTB4R2NPY5RKDM4EALDH1A1
SCHEMBL14357353 0.77 NISCH (0.50) LTB4RLTB4R2ALDH1A1

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 LTB4R 17/4885LTB4R2 23/4885THRB 961/4885

“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.