SCHEMBL5388716

SCHEMBL5388716

CN(CCC(=O)N(C)CCc1ccc(C2=NCCN2C(=O)O)cc1)Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
HDAC1 Q13547 1/20 0.39
LTB4R Q15722 2/20 0.39
LTB4R2 Q9NPC1 2/20 0.39
MEN1 O00255 2/20 0.38
TAAR1 Q96RJ0 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
BCHE P06276 1/20 0.36
ACHE P22303 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
SCHEMBL5393881 0.88 KMT2A (0.38) KMT2ARAB9ANPC1HDAC1LTB4R
SCHEMBL5388723 0.85 TAAR1 (0.39) KMT2ARAB9ANPC1LTB4RLTB4R2
SCHEMBL5388638 0.82 RAB9A (0.36) KMT2ARAB9ANPC1LTB4RLTB4R2
SCHEMBL5194968 0.81 KMT2A (0.36) KMT2ARAB9ANPC1HDAC1LTB4R
SCHEMBL5393153 0.80 LTB4R (0.42) KMT2ALTB4RLTB4R2MEN1MAPT
SCHEMBL5396927 0.77 BDKRB1 (0.46)
SCHEMBL5115000 0.76 BCHE (0.41) KMT2ARAB9ANPC1BCHEACHE
SCHEMBL5111903 0.75 CHRNB2 (0.42) KMT2ARAB9ANPC1MEN1MAPT
SCHEMBL5125274 0.74 BDKRB1 (0.52) RAB9ANPC1
SCHEMBL5110896 0.73 RAB9A (0.39) KMT2ARAB9ANPC1MEN1MAPT

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 KMT2A 2730/4885RAB9A 2494/4885NPC1 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.