SCHEMBL6029465

SCHEMBL6029465

[CH2]CC1CCN(C(=O)CC)CC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 12/20 0.49
EPHX1 P07099 2/20 0.46
ALDH1A1 P00352 2/20 0.42
CHRNB2 P17787 2/20 0.41
CHRNA3 P32297 2/20 0.41
CHRNA4 P43681 2/20 0.41
NPC1 O15118 1/20 0.41
CHRNB3 Q05901 1/20 0.41
CHRNA6 Q15825 1/20 0.41
GNAI3 P08754 1/20 0.41
GNAO1 P09471 1/20 0.41
GNAI1 P63096 1/20 0.41
CHRNB4 P30926 1/20 0.40
CHRNA7 P36544 1/20 0.40
BLM P54132 1/20 0.40

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
SCHEMBL6029860 0.85 GNAI3 (0.49) EPHX2EPHX1CHRNB2CHRNA3CHRNA4
SCHEMBL4487574 0.83 EPHX2 (0.51) EPHX2EPHX1ALDH1A1CHRNB2CHRNA3
SCHEMBL16077702 0.83 EPHX2 (0.51) EPHX2EPHX1ALDH1A1CHRNB2CHRNA3
SCHEMBL621450 0.82 EPHX2 (0.50) EPHX2EPHX1ALDH1A1CHRNB2CHRNA3
SCHEMBL4578708 0.82 EPHX2 (0.50) EPHX2EPHX1ALDH1A1CHRNB2CHRNA3
SCHEMBL4518519 0.80 GNAI3 (0.51) EPHX2EPHX1ALDH1A1CHRNB2CHRNA3
SCHEMBL4423545 0.80 CPN1 (0.47) ALDH1A1NPC1GNAI3GNAO1GNAI1
SCHEMBL3317695 0.80 EPHX2 (0.49) EPHX2EPHX1ALDH1A1CHRNB2CHRNA3
SCHEMBL10305557 0.80 EPHX2 (0.49) EPHX2EPHX1ALDH1A1
SCHEMBL771884 0.79 EPHX2 (0.43) EPHX2EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7056937-B2 Sulfonylquinoxalone derivatives as bradykinin antagonists ELAN PHARMACEUTICALS, INC. (US) 2006-06-06 US claimed
US-20040147519-A1 Sulfonylquinoxalone acetamide derivatives as bradykinin antagonists ELAN PHARMACEUTICALS, INC. 2004-07-29 US claimed
CN-1328278-C N-acylamino acid amide compounds and intermediates for preparation thereof UBE INDUSTRIES (JP) 2007-07-25 CN disclosed
US-7056937-B2 Sulfonylquinoxalone derivatives as bradykinin antagonists ELAN PHARMACEUTICALS, INC. (US) 2006-06-06 US disclosed
US-20040147519-A1 Sulfonylquinoxalone acetamide derivatives as bradykinin antagonists ELAN PHARMACEUTICALS, INC. 2004-07-29 US disclosed
US-6265418-B1 ANTICOAGULANTS UBE INDUSTRIES, LTD. (JP) 2001-07-24 US disclosed
CN-1265661-A N-acylamino acid amide compounds and intermediates for preparation thereof UBE INDUSTRIES (JP) 2000-09-06 CN disclosed
EP-1020467-A1 N-ACYLAMINO ACID AMIDE COMPOUNDS AND INTERMEDIATES FOR PREPARATION THEREOF UBE INDUSTRIES LIMITED (JP) 2000-07-19 EP 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-20040147519-A1 Sulfonylquinoxalone acetamide derivatives as bradykinin antagonists BDKRB2, BDKRB1, HRH2 EPHX2 1076/4885EPHX1 490/4885ALDH1A1 2364/4885

“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.