SCHEMBL5388729

SCHEMBL5388729

O=C(CCNCCc1ccccc1)CNCCc1ccc(C2=NCCN2C(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TAAR1 Q96RJ0 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
DPP4 P27487 2/20 0.37
DPP7 Q9UHL4 3/20 0.37
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
POLB P06746 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
THRB P10828 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
KCNH2 Q12809 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35

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
SCHEMBL5125286 0.75 ALDH1A1 (0.33) MEN1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL5111876 0.70 MEN1 (0.42) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL5388638 0.70 RAB9A (0.36) MEN1KMT2ATAAR1ALDH1A1MAPT
SCHEMBL21547637 0.67 TRPV1 (0.55) OPRK1
SCHEMBL16325539 0.65 SIGMAR1 (0.54) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL2751166 0.64 KEAP1 (0.63) ALDH1A1MAPTSMN1; SMN2SIGMAR1
SCHEMBL25360940 0.63 FFAR1 (0.65)
SCHEMBL12500216 0.63 SIGMAR1 (0.51) MEN1KMT2ATAAR1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL8618136 0.63 KEAP1 (0.61) ALDH1A1MAPTSMN1; SMN2SIGMAR1
SCHEMBL157742 0.62 KEAP1 (0.59) TAAR1KDM4EALDH1A1DPP7MAPT

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 2730/4885TAAR1 189/4885

“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.