SCHEMBL5384267

SCHEMBL5384267

CC(C)(C)OC(=O)N1CCN=C1c1ccc(CCNCC(=O)OCc2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
HTT P42858 1/20 0.38
NR1H2 P55055 2/20 0.37
MAPT P10636 2/20 0.37
RAB9A P51151 1/20 0.37
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL5393160 0.88 CA1 (0.39) MEN1KMT2AMAPTRAB9ATP53
SCHEMBL14357354 0.82 LTB4R (0.38) MEN1KMT2ANR1H2MAPTSMN1; SMN2
SCHEMBL5392988 0.80 NR1H2 (0.40) NR1H2RAB9A
SCHEMBL12162029 0.80 GPR119 (0.39) MEN1KMT2ASMN1; SMN2
SCHEMBL12162030 0.74 GPR119 (0.41) MEN1KMT2AHTTNR1H2MAPT
SCHEMBL5381807 0.74 NPC1 (0.40) RAB9A
SCHEMBL6676173 0.73 ALDH1A1 (0.56) MEN1KMT2ASMN1; SMN2
SCHEMBL5392992 0.73 NR1H2 (0.37) NR1H2MAPT
SCHEMBL5393881 0.73 KMT2A (0.38) MEN1KMT2ANR1H2RAB9A
Hydrochloric Acid SCHEMBL6678335 0.72 ALDH1A1 (0.54) KMT2AMAPTSMN1; SMN2

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 MEN1 354/4885KMT2A 2730/4885HTT 3739/4885

“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.