SCHEMBL3310795

SCHEMBL3310795

COc1cc(C)c(S(=O)(=O)N2CCCCC2CCCC(=O)N2CCC3(CC2)CCC(c2cccs2)(N(C)C)CC3)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.40
OPRL1 P41146 4/20 0.40
L3MBTL1 Q9Y468 1/20 0.37
RAB9A P51151 2/20 0.36
BDKRB1 P46663 2/20 0.36
NPC1 O15118 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
SCHEMBL12694729 0.89 BDKRB1 (0.41) OPRM1OPRL1BDKRB1
SCHEMBL3310727 0.88 OPRM1 (0.44) OPRM1OPRL1RAB9ABDKRB1NPC1
SCHEMBL3311065 0.81 OPRM1 (0.41) OPRM1OPRL1RAB9ABDKRB1NPC1
SCHEMBL12694771 0.80 NPC1 (0.36) RAB9ABDKRB1NPC1
SCHEMBL12694641 0.77 OPRM1 (0.40) OPRM1OPRL1RAB9A
SCHEMBL3311026 0.77 OPRM1 (0.44) OPRM1OPRL1BDKRB1
SCHEMBL3311024 0.77 OPRM1 (0.44) OPRM1OPRL1BDKRB1
SCHEMBL3808551 0.77 BDKRB1 (0.41) BDKRB1
SCHEMBL3316346 0.76 BDKRB1 (0.40) OPRM1OPRL1BDKRB1
SCHEMBL3407245 0.76 NPC1 (0.36) RAB9ABDKRB1NPC1

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 12/4885L3MBTL1 3336/4885

“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.