SCHEMBL5388638

SCHEMBL5388638

CNCCC(=O)N(C)CCc1ccc(C2=NCCN2C(=O)O)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MCHR1 Q99705 1/20 0.35
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LTB4R Q15722 2/20 0.34
LTB4R2 Q9NPC1 2/20 0.34
POLB P06746 1/20 0.34
TAAR1 Q96RJ0 1/20 0.33
THRB P10828 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MMP3 P08254 1/20 0.33

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
SCHEMBL5388723 0.88 TAAR1 (0.39) RAB9AMEN1KMT2ANPC1L3MBTL1
SCHEMBL5388785 0.86 NR1H2 (0.35) RAB9AMCHR1
SCHEMBL5378824 0.85 MEN1 (0.41) MEN1KMT2AMAPTSMN1; SMN2POLB
SCHEMBL5388716 0.82 KMT2A (0.43) RAB9AMEN1KMT2ANPC1L3MBTL1
SCHEMBL5110896 0.82 RAB9A (0.39) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL5396925 0.78 BDKRB1 (0.36) MCHR1MAPTALDH1A1MMP3
SCHEMBL5117819 0.76 BDKRB1 (0.39) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL5393153 0.76 LTB4R (0.42) MEN1KMT2AMCHR1MAPTSMN1; SMN2
SCHEMBL5396927 0.75 BDKRB1 (0.46) MCHR1
SCHEMBL5457826 0.73 NR1H2 (0.38) NPC1LTB4RLTB4R2ALDH1A1MMP3

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 RAB9A 2494/4885MEN1 354/4885KMT2A 2730/4885

“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.