SCHEMBL3949161

SCHEMBL3949161

c1cc(C(C2CCC2)N2CCNCC2)ccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.49
OPRD1 P41143 3/20 0.49
OPRK1 P41145 3/20 0.49
SLC6A4 P31645 5/20 0.43
ADRB2 P07550 1/20 0.42
NCF1 P14598 1/20 0.42
PLD1 Q13393 1/20 0.42
CACNA2D1 P54289 1/20 0.40
CACNA1B Q00975 1/20 0.40
CACNB1 Q02641 1/20 0.40
OPRL1 P41146 2/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ROCK1 Q13464 1/20 0.37
SLC6A2 P23975 2/20 0.36
SLC6A3 Q01959 2/20 0.36
CYP19A1 P11511 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP17A1 P05093 1/20 0.35
KCNH2 Q12809 2/20 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
SCHEMBL3956045 0.81 OPRM1 (0.40) OPRM1OPRD1OPRK1SLC6A4ADRB2
SCHEMBL23802612 0.81 OPRM1 (0.52) OPRM1OPRD1OPRK1SLC6A4CACNA2D1
SCHEMBL8124509 0.79 OPRD1 (0.57) OPRM1OPRD1OPRK1SLC6A4CACNA2D1
SCHEMBL5111865 0.79 OPRM1 (0.40) OPRM1OPRD1OPRK1CACNA2D1OPRL1
SCHEMBL3953295 0.77 SLC6A4 (0.43) OPRM1OPRD1OPRK1SLC6A4ADRB2
SCHEMBL30330203 0.77 OPRM1 (0.57) OPRM1OPRD1OPRK1SLC6A4CACNA2D1
SCHEMBL23293565 0.74 OPRM1 (0.48) OPRM1OPRD1OPRK1SLC6A4CACNA2D1
SCHEMBL3432555 0.73 MEN1 (0.63) OPRM1OPRD1SLC6A4ADRB2NCF1
Trifluoroacetic Acid SCHEMBL23293327 0.72 OPRD1 (0.52) OPRM1OPRD1OPRK1SLC6A4CACNA2D1
SCHEMBL13600073 0.71 CHRM2 (0.53) OPRM1OPRD1OPRK1SLC6A4ADRB2

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-1703908-A4 ARYL SULFONAMIDE COMPOUNDS AND USES RELATED THERETO AMGEN INC (US) 2009-07-08 EP disclosed
US-7365075-B2 Aryl sulfonamide compounds and uses related thereto AMGEN INC. (US) 2008-04-29 US disclosed
EP-1703908-A1 ARYL SULFONAMIDE COMPOUNDS AND USES RELATED THERETO Amgen Inc. (US) 2006-09-27 EP disclosed
US-20050277649-A1 Aryl sulfonamide compounds and uses related thereto AMGEN SF, LLC (US) 2005-12-15 US disclosed
WO-2005063247-A1 ARYL SULFONAMIDE COMPOUNDS AND USES RELATED THERETO AMGEN INC. (US) 2005-07-14 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-20050277649-A1 Aryl sulfonamide compounds and uses related thereto SULT2A1, ARSA, SULT1A1 OPRM1 3013/4885OPRD1 2700/4885OPRK1 2599/4885

“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.