SCHEMBL2179434

SCHEMBL2179434

Clc1nc(COC2CCCCO2)cc(N2CCCC2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CHRM3 P20309 2/20 0.33
▸ PDE4A P27815 2/20 0.33
▸ PDE4B Q07343 2/20 0.33
▸ PDE4C Q08493 2/20 0.33
▸ PDE4D Q08499 2/20 0.33
▸ CASP1 P29466 2/20 0.33
▸ CASP5 P51878 2/20 0.33
▸ CASP4 P49662 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ HRH4 Q9H3N8 1/20 0.33
▸ PDE10A Q9Y233 4/20 0.32
▸ FFAR1 O14842 1/20 0.32

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
SCHEMBL12408704 0.81 NPC1 (0.37) KDM4CL3MBTL1NPC1RAB9AMAPT
SCHEMBL23531793 0.75 KDM4C (0.43) KDM4CL3MBTL1NPC1RAB9AP2RX3
SCHEMBL2176807 0.74 NPC1 (0.33) KDM4CNPC1RAB9AMAPTPDE10A
SCHEMBL2176806 0.74 NPC1 (0.33) KDM4CNPC1RAB9AMAPTPDE10A
SCHEMBL2180159 0.71 PDE10A (0.44) KDM4CL3MBTL1MAPTALDH1A1LMNA
SCHEMBL16397920 0.71 CHRM3 (0.37) L3MBTL1MAPTCHRM3PDE4APDE4B
SCHEMBL11090556 0.69 KDM4C (0.46) KDM4CL3MBTL1NPC1RAB9AP2RX3
SCHEMBL30486438 0.69 KDM4C (0.43) KDM4CL3MBTL1NPC1RAB9AALDH1A1
SCHEMBL25228564 0.69 KDM4C (0.43) KDM4CL3MBTL1NPC1RAB9AALDH1A1
SCHEMBL2179648 0.69 GBA1 (0.43) MAPTCHRM3PDE4APDE4BPDE4C

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
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
US-20110166135-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-07-07 — — US 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 KDM4C 305/4885L3MBTL1 4808/4885NPC1 4022/4885

“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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