SCHEMBL3311065

SCHEMBL3311065

Cc1cc(S(=O)(=O)N2CCCCC2CCC(=O)N2CCC3(CC2)CCC(c2cccs2)(N(C)C)CC3)c(C)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.41
OPRL1 P41146 3/20 0.41
BDKRB1 P46663 6/20 0.38
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
RAB9A P51151 1/20 0.37
NPC1 O15118 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL3311493 0.88 OPRM1 (0.45) OPRM1OPRL1BDKRB1HCRTR1HCRTR2
SCHEMBL3406175 0.83 BDKRB1 (0.41) OPRM1OPRL1BDKRB1HCRTR1HCRTR2
SCHEMBL3310795 0.81 OPRM1 (0.40) OPRM1OPRL1BDKRB1RAB9ANPC1
SCHEMBL3314516 0.79 BDKRB1 (0.36) BDKRB1HCRTR1HCRTR2
SCHEMBL3408684 0.79 BDKRB1 (0.40) OPRM1OPRL1BDKRB1HCRTR1HCRTR2
SCHEMBL3408728 0.78 BDKRB1 (0.40) BDKRB1HCRTR1HCRTR2
SCHEMBL12694641 0.78 OPRM1 (0.40) OPRM1OPRL1RAB9A
SCHEMBL5121357 0.77 HCRTR1 (0.39) BDKRB1HCRTR1HCRTR2
SCHEMBL3407195 0.77 HCRTR1 (0.39) BDKRB1HCRTR1HCRTR2
SCHEMBL5128054 0.76 HCRTR1 (0.39) BDKRB1HCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8278319-B2 Substituted spiroamine compounds GRUENENTHAL GMBH (DE) 2012-10-02 US claimed
US-8278319-B2 Substituted spiroamine compounds GRUENENTHAL GMBH (DE) 2012-10-02 US disclosed
US-20100113417-A1 Substituted Spiroamine Compounds GRUENENTHAL GMBH (DE) 2010-05-06 US disclosed
US-20100113417-A1 Substituted Spiroamine Compounds GRUENENTHAL GMBH (DE) 2010-05-06 US disclosed
US-20100113417-A1 Substituted Spiroamine Compounds GRUENENTHAL GMBH (DE) 2010-05-06 US disclosed
WO-2010049146-A1 SUBSTITUTED SPIROAMINES Grünenthal GmbH (DE) 2010-05-06 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-20100113417-A1 Substituted Spiroamine Compounds BDKRB1, BDKRB2, REN OPRM1 82/4885OPRL1 12/4885BDKRB1 1/4885

“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.