SCHEMBL5388723

SCHEMBL5388723

CN(CCc1ccc(C2=NCCN2C(=O)O)cc1)C(=O)CCNCCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.39
SLC6A4 P31645 2/20 0.38
LTB4R Q15722 3/20 0.38
LTB4R2 Q9NPC1 3/20 0.38
RAB9A P51151 2/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 2/20 0.37
ALDH1A1 P00352 1/20 0.37
NPC1 O15118 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
HTR5A P47898 2/20 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
SCHEMBL5388638 0.88 RAB9A (0.36) TAAR1LTB4RLTB4R2RAB9AKMT2A
SCHEMBL5388716 0.85 KMT2A (0.43) TAAR1LTB4RLTB4R2RAB9AKMT2A
SCHEMBL5396925 0.81 BDKRB1 (0.36) MAPTALDH1A1
SCHEMBL5393153 0.79 LTB4R (0.42) LTB4RLTB4R2KMT2AMEN1MAPT
SCHEMBL5378824 0.77 MEN1 (0.41) TAAR1KMT2AMEN1MAPTALDH1A1
SCHEMBL5457826 0.77 NR1H2 (0.38) LTB4RLTB4R2ALDH1A1NPC1
SCHEMBL5393160 0.76 CA1 (0.39) TAAR1RAB9AKMT2AMEN1MAPT
SCHEMBL5388785 0.75 NR1H2 (0.35) RAB9A
SCHEMBL5393881 0.74 KMT2A (0.38) LTB4RLTB4R2RAB9AKMT2AMEN1
SCHEMBL5396927 0.74 BDKRB1 (0.46)

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 TAAR1 189/4885SLC6A4 2316/4885LTB4R 17/4885

“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.