SCHEMBL5111865

SCHEMBL5111865

CC1CN(C(c2ccncc2)C2CCCC2)CCN1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.40
OPRD1 P41143 3/20 0.40
OPRK1 P41145 3/20 0.40
CACNA2D1 P54289 2/20 0.37
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
MAPK14 Q16539 1/20 0.37
OPRL1 P41146 2/20 0.36
KIT P10721 1/20 0.35
CYP17A1 P05093 1/20 0.34
ROCK1 Q13464 3/20 0.34
PRKCI P41743 2/20 0.33
HRH3 Q9Y5N1 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
NFKB1 P19838 1/20 0.33
ROCK2 O75116 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 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
SCHEMBL5105256 0.94 CACNA2D1 (0.38) OPRM1OPRD1OPRK1CACNA2D1MAPK13
SCHEMBL3949161 0.79 OPRM1 (0.49) OPRM1OPRD1OPRK1CACNA2D1OPRL1
SCHEMBL3956067 0.74 CA1 (0.36) OPRM1OPRD1OPRK1CACNA2D1
SCHEMBL6408578 0.73 CHRNA3 (0.36) HRH3
SCHEMBL3951379 0.73 CHRNA3 (0.36) HRH3
SCHEMBL3956045 0.70 OPRM1 (0.40) OPRM1OPRD1OPRK1CACNA2D1CYP2D6
SCHEMBL26955689 0.69 MLNR (0.34) OPRM1HRH3
SCHEMBL26955724 0.68 CYP2D6 (0.38) CACNA2D1MAPK13MAPK12MAPK11MAPK14
SCHEMBL3953295 0.66 SLC6A4 (0.43) OPRM1OPRD1OPRK1CYP3A4CYP2D6
SCHEMBL8113213 0.65 ADRB2 (0.56) MAPK13MAPK12MAPK11MAPK14KIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7365075-B2 Aryl sulfonamide compounds and uses related thereto AMGEN INC. (US) 2008-04-29 US disclosed
US-20050277649-A1 Aryl sulfonamide compounds and uses related thereto AMGEN SF, LLC (US) 2005-12-15 US 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.