SCHEMBL3407785

SCHEMBL3407785

C[C@H](CBr)COC1CCCCO1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL7111388 1.00 MEN1 (0.33) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL6120490 1.00 MEN1 (0.33) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL6791247 1.00 MEN1 (0.33) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL7111393 1.00 MEN1 (0.33) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL27496485 1.00 MEN1 (0.33) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL18826131 0.92 MEN1 (0.34) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL11098782 0.87 MEN1 (0.32) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL9841640 0.85 MEN1 (0.38) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL9841180 0.85 MEN1 (0.38) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL11361221 0.85 MEN1 (0.38) MEN1KMT2AKDM4CNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288430-B2 Spiro(5.5)undecane derivatives GRUNENTHAL GMBH (DE) 2012-10-16 US disclosed
WO-2012067663-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-05-24 WO disclosed
EP-2257526-B1 SPIRO(5.5)UNDECANE DERIVATIVES GRUENENTHAL GMBH (DE) 2011-12-14 EP disclosed
CN-102083790-A Spiro (5.5) undecane derivatives GRUENENTHAL GMBH 2011-06-01 CN disclosed
EP-2257526-A1 SPIRO(5.5)UNDECANE DERIVATIVES Grünenthal GmbH (DE) 2010-12-08 EP disclosed
WO-2009118169-A1 SPIRO(5.5)UNDECANE DERIVATIVES Grünenthal GmbH (DE) 2009-10-01 WO disclosed
US-20090247505-A1 SPIRO(5.5)UNDECANE DERIVATIVES GRUNENTHAL GMBH (DE) 2009-10-01 US disclosed
US-6071932-A SUPPRESSING ABSORPTION OF GAMMA-AMINOBUTYRIC ACID FOR TREATMENT OF NERVOUS SYSTEM DISORDERS BRITISH TECHNOLOGY GROUP INTERCORPORATE LICENSING LIMITED (GB) 2000-06-06 US disclosed
EP-0823905-A1 NOVEL HETEROCYCLIC CHEMISTRY NOVO NORDISK A/S (DK) 1998-02-18 EP disclosed
WO-1996034863-A1 NOVEL HETEROCYCLIC CHEMISTRY NOVO NORDISK A/S (DK) 1996-11-07 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-20090247505-A1 SPIRO(5.5)UNDECANE DERIVATIVES OPRL1, OPRD1, OPRM1 MEN1 4064/4885KMT2A 4255/4885KDM4C 4657/4885

“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.