SCHEMBL22301062

SCHEMBL22301062

COc1ccc(CN2C(=O)NC3(CC(c4ccccc4)(N(C)C(=O)O)C3)C2=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.52
OPRM1 P35372 14/20 0.51
OPRL1 P41146 12/20 0.51
L3MBTL1 Q9Y468 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL20647628 0.89 HDAC6 (0.49) HDAC6OPRM1OPRL1L3MBTL1NPC1
SCHEMBL22570690 0.89 HDAC6 (0.49) HDAC6OPRM1OPRL1L3MBTL1NPC1
SCHEMBL20640208 0.89 HDAC6 (0.49) HDAC6OPRM1OPRL1L3MBTL1NPC1
SCHEMBL22823349 0.83 OPRM1 (0.66) OPRM1OPRL1
SCHEMBL20653795 0.79 HDAC6 (0.52) HDAC6OPRM1OPRL1L3MBTL1NPC1
SCHEMBL20640259 0.79 OPRM1 (0.62) HDAC6OPRM1OPRL1
SCHEMBL22556052 0.76 OPRM1 (0.58) OPRM1OPRL1
SCHEMBL22570694 0.76 OPRM1 (0.49) HDAC6OPRM1OPRL1L3MBTL1
SCHEMBL20640206 0.75 HDAC6 (0.49) HDAC6L3MBTL1NPC1RAB9A
SCHEMBL26649076 0.74 HTT (0.50) HDAC6L3MBTL1NPC1RAB9A

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-20200331864-A1 1,3-DIAZA-SPIRO-[3.4]-OCTANE DERIVATIVES GRUNENTHAL GMBH (DE) 2020-10-22 US disclosed
US-10738015-B2 1,3-diaza-spiro-[3.4]-octane derivatives Grünenthal GmbH (DE) 2020-08-11 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 (2 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-10738015-B2 1,3-diaza-spiro-[3.4]-octane derivatives OPRK1, OPRD1, OPRL1 HDAC6 493/4885OPRM1 5/4885OPRL1 3/4885
US-20200331864-A1 1,3-DIAZA-SPIRO-[3.4]-OCTANE DERIVATIVES OPRK1, OPRD1, OPRL1 HDAC6 493/4885OPRM1 5/4885OPRL1 3/4885

“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.