SCHEMBL5457826

SCHEMBL5457826

CN(CCc1ccc(C2=NCCN2C(=O)OC(C)(C)C)cc1)C(=O)CCNCS(=O)(=O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 9/20 0.38
NR1H3 Q13133 1/20 0.33
NPC1 O15118 1/20 0.33
MMP3 P08254 1/20 0.33
GHSR Q92847 1/20 0.32
LIMK2 P53671 1/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
STS P08842 1/20 0.32
LTB4R Q15722 1/20 0.32
LTB4R2 Q9NPC1 1/20 0.32
GPR119 Q8TDV5 1/20 0.32

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
SCHEMBL5392992 0.92 NR1H2 (0.37) NR1H2NR1H3NPC1LIMK2ADRB2
SCHEMBL5388785 0.84 NR1H2 (0.35) NR1H2NR1H3GPR119
SCHEMBL5393881 0.81 KMT2A (0.38) NR1H2NR1H3NPC1ALDH1A1LTB4R
SCHEMBL5381812 0.79 FKBP1A (0.39) NPC1ALDH1A1LMNA
SCHEMBL5457823 0.79 NR1H2 (0.40) NR1H2NR1H3ALDH1A1LMNA
SCHEMBL5396925 0.78 BDKRB1 (0.36) MMP3ALDH1A1LMNA
SCHEMBL5388723 0.77 TAAR1 (0.39) NPC1ALDH1A1LTB4RLTB4R2
SCHEMBL5393651 0.77 BDKRB1 (0.47) STS
SCHEMBL14357354 0.77 LTB4R (0.38) NR1H2NR1H3LTB4RLTB4R2GPR119
SCHEMBL5392988 0.76 NR1H2 (0.40) NR1H2ADRB2ALDH1A1LMNAGPR119

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 NR1H2 1771/4885NR1H3 2021/4885NPC1 2214/4885

“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.