SCHEMBL3407459

SCHEMBL3407459

CNC1(c2cccnc2)CCC2(CC1)OCCO2

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 3/20 0.40
OPRM1 P35372 4/20 0.39
OPRL1 P41146 3/20 0.39
OPRK1 P41145 1/20 0.39
HDAC6 Q9UBN7 2/20 0.38
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
OGFRL1 Q5TC84 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
HTT P42858 1/20 0.34
KIF11 P52732 1/20 0.34
ALDH1A1 P00352 1/20 0.33
P2RX7 Q99572 1/20 0.33

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
SCHEMBL28045235 0.87 OPRM1 (0.47) VNN1OPRM1OPRL1OPRK1HDAC6
Hydrochloric Acid SCHEMBL23778979 0.86 OPRM1 (0.46) VNN1OPRM1OPRL1OPRK1HDAC6
SCHEMBL29010349 0.81 P2RX7 (0.42) VNN1OPRM1OPRL1OPRK1HDAC6
SCHEMBL734156 0.81 OPRM1 (0.57) OPRM1OPRL1OPRK1OGFRL1SLC6A4
SCHEMBL3406464 0.80 VNN1 (0.42) VNN1HDAC6HDAC3HDAC1HDAC2
Hydrochloric Acid SCHEMBL9897862 0.80 OPRM1 (0.56) OPRM1OPRL1OPRK1OGFRL1SLC6A4
SCHEMBL3667011 0.80 P2RX7 (0.41) VNN1OPRM1OPRL1OPRK1HDAC6
SCHEMBL3407399 0.78 OPRL1 (0.50) OPRM1OPRL1OPRK1ALDH1A1
SCHEMBL1721462 0.77 ALDH1A1 (0.48) OPRM1OPRL1OPRK1SMN1; SMN2ALDH1A1
SCHEMBL3410998 0.73 HSD11B1 (0.39) VNN1OPRM1HDAC6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2257527-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-12-08 EP disclosed
US-20090253669-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-08 US disclosed
US-20090253669-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-08 US disclosed
US-20090253669-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-08 US disclosed
WO-2009115257-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-09-24 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-20090253669-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 VNN1 2917/4885OPRM1 2798/4885OPRL1 2189/4885

“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.