SCHEMBL3274450

SCHEMBL3274450

O=C(NC1CCCCCC1)C1CCNCC1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.74
EPHX1 P07099 7/20 0.66
ALDH1A1 P00352 3/20 0.51
EPHX2 P34913 3/20 0.51
MAPK1 P28482 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
GAA P10253 1/20 0.50
HTT P42858 1/20 0.50
KDM4E B2RXH2 1/20 0.50
CYP3A4 P08684 1/20 0.50
CHRM5 P08912 1/20 0.49
CHRM3 P20309 1/20 0.49
SIGMAR1 Q99720 1/20 0.49

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
SCHEMBL1972336 1.00 POLB (0.74) POLBEPHX1ALDH1A1EPHX2MAPK1
Hydrochloric Acid SCHEMBL23246059 0.98 POLB (0.71) POLBEPHX1ALDH1A1EPHX2MAPK1
SCHEMBL1437818 0.98 POLB (0.77) POLBEPHX1ALDH1A1EPHX2MAPK1
SCHEMBL13746134 0.94 POLB (0.77) POLBEPHX1ALDH1A1EPHX2MAPK1
SCHEMBL24323730 0.92 POLB (0.81) POLBEPHX1ALDH1A1EPHX2MAPK1
SCHEMBL6378905 0.92 POLB (0.81) POLBEPHX1ALDH1A1EPHX2MAPK1
Hydrochloric Acid SCHEMBL4711713 0.90 POLB (0.78) POLBEPHX1ALDH1A1EPHX2MAPK1
SCHEMBL4701164 0.90 POLB (0.84) POLBEPHX1ALDH1A1EPHX2MAPK1
SCHEMBL10080421 0.90 POLB (0.91) POLBEPHX1ALDH1A1EPHX2MAPK1
SCHEMBL2016778 0.90 POLB (0.83) POLBEPHX1ALDH1A1EPHX2MAPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8481527-B2 Benzamide derivatives as bradykinin antagonists RICHTER GEDEON NYRT. (HU) 2013-07-09 US disclosed
US-20100087423-A1 NEW BENZAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS RICHTER GEDEON NYRT. (HU) 2010-04-08 US disclosed
WO-2009098282-A1 LOW MOLECULAR WEIGHT 2,5-DISUBSTITUTED THIOPHENE DERIVATIVES AND USE THEREOF IN THERAPY NOVASAID AB (SE) 2009-08-13 WO 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-20100087423-A1 NEW BENZAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS BDKRB1, BDKRB2, HRH1 POLB 3375/4885EPHX1 489/4885ALDH1A1 2842/4885

“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.