SCHEMBL4292893

SCHEMBL4292893

c1cncc(C2(OCCN3CCCCC3)CCNCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.49
CHRNA4 P43681 4/20 0.49
LTA4H P09960 2/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42
PTGS2 P35354 1/20 0.39
MAPK1 P28482 1/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
PSMB1 P20618 1/20 0.37
PSMB5 P28074 1/20 0.37
PSMB2 P49721 1/20 0.37
HRH3 Q9Y5N1 2/20 0.37
FLT1 P17948 1/20 0.37
FLT4 P35916 1/20 0.37
KDR P35968 1/20 0.37
CCR1 P32246 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL2110717 0.99 CHRNB2 (0.50) CHRNB2CHRNA4LTA4HCYP3A4CYP2D6
Hydrochloric Acid SCHEMBL2333516 0.98 CHRNB2 (0.49) CHRNB2CHRNA4LTA4HCYP3A4CYP2D6
SCHEMBL3441566 0.95 CHRNB2 (0.47) CHRNB2CHRNA4LTA4HCYP3A4CYP2D6
Hydrochloric Acid SCHEMBL4298167 0.94 CHRNB2 (0.46) CHRNB2CHRNA4LTA4HCYP3A4CYP2D6
SCHEMBL639221 0.92 CHRNB2 (0.46) CHRNB2CHRNA4LTA4HCYP3A4CYP2D6
SCHEMBL3441821 0.92 CHRNB2 (0.48) CHRNB2CHRNA4LTA4HCYP3A4CYP2D6
SCHEMBL13660753 0.84 LTA4H (0.45) CHRNB2CHRNA4LTA4HCYP3A4CYP2D6
Tert-Butyl Formate SCHEMBL27951859 0.83 CHRNB2 (0.38) CHRNB2CHRNA4LTA4HHRH3CCR1
Hydrochloric Acid SCHEMBL4293004 0.83 LTA4H (0.44) CHRNB2CHRNA4LTA4HCYP3A4CYP2D6
SCHEMBL13660755 0.82 CHRNB2 (0.50) CHRNB2CHRNA4LTA4HCYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318769-B2 Substituted sulfonamide compounds GRUENETHAL GMBH (DE) 2012-11-27 US disclosed
US-8318769-B2 Substituted sulfonamide compounds GRUENETHAL GMBH (DE) 2012-11-27 US disclosed
US-8318769-B2 Substituted sulfonamide compounds GRUENETHAL GMBH (DE) 2012-11-27 US disclosed
US-20090264400-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-22 US disclosed
US-20090264400-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-22 US disclosed
US-20090264400-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-22 US disclosed
WO-2009124733-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES GRUENENTHAL GMBH (DE) 2009-10-15 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-20090264400-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, TRPV1 CHRNB2 1857/4885CHRNA4 2083/4885LTA4H 400/4885

“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.