SCHEMBL2176807

SCHEMBL2176807

CCCC[Sn](C=Cc1nc(COC2CCCCO2)cc(N2CCCC2)n1)(CCCC)CCCC

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KDM4C Q9H3R0 1/20 0.32
▸ PDE10A Q9Y233 2/20 0.31
▸ MAPT P10636 1/20 0.31

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
SCHEMBL2176806 1.00 NPC1 (0.33) NPC1RAB9AKDM4CPDE10AMAPT
SCHEMBL12408704 0.84 NPC1 (0.37) NPC1RAB9AKDM4CPDE10AMAPT
SCHEMBL2180156 0.75 PDE10A (0.44) KDM4CPDE10AMAPT
SCHEMBL2180159 0.75 PDE10A (0.44) KDM4CPDE10AMAPT
SCHEMBL2179434 0.74 KDM4C (0.39) NPC1RAB9AKDM4CPDE10AMAPT
SCHEMBL2177340 0.69 KDM4E (0.36) NPC1RAB9APDE10AMAPT
SCHEMBL2177333 0.69 KDM4E (0.36) NPC1RAB9APDE10AMAPT
SCHEMBL7843915 0.69 MEN1 (0.32) —
SCHEMBL2178181 0.67 ALDH1A1 (0.45) NPC1RAB9APDE10AMAPT
SCHEMBL1220698 0.65 PPARA (0.43) NPC1RAB9AKDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2342191-B1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORP (JP) 2013-03-20 — — EP disclosed
EP-2342191-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE Mitsubishi Tanabe Pharma Corporation (JP) 2011-07-13 — — EP disclosed
US-20110166135-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-07-07 — — US disclosed
WO-2010030027-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-03-18 — — 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-20110166135-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE PDE10A, PDE3A, PDE3B NPC1 4022/4885RAB9A 590/4885KDM4C 305/4885

“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.

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