SCHEMBL3205812

SCHEMBL3205812

Clc1cc(OCCN2CCOCC2)ncn1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
TSHR P16473 2/20 0.51
SIGMAR1 Q99720 7/20 0.51
KCNH2 Q12809 1/20 0.49
NPC1 O15118 1/20 0.49
TP53 P04637 1/20 0.48
KMO O15229 2/20 0.47
MAPT P10636 1/20 0.46
HTT P42858 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
SCHEMBL15003880 0.82 NPC1 (0.46) KDM4EALDH1A1TSHRSIGMAR1KCNH2
SCHEMBL5491933 0.81 KMO (0.60) KDM4EALDH1A1TSHRNPC1TP53
SCHEMBL3105981 0.78 KMT2A (0.49) KDM4EALDH1A1TSHRSIGMAR1KCNH2
SCHEMBL28495249 0.78 KDM4E (0.45) KDM4EALDH1A1TSHRSIGMAR1KCNH2
SCHEMBL30986449 0.77 KDM4E (0.56) KDM4EALDH1A1TSHRSIGMAR1KCNH2
SCHEMBL5490055 0.76 KMO (0.45) KDM4EALDH1A1TSHRSIGMAR1TP53
SCHEMBL15260226 0.75 KDM4E (0.66) KDM4EALDH1A1TSHRNPC1TP53
SCHEMBL14758458 0.75 KMO (0.74) KDM4EALDH1A1TSHRSIGMAR1KCNH2
SCHEMBL11929837 0.73 NPC1 (0.52) KDM4EALDH1A1TSHRSIGMAR1KCNH2
SCHEMBL1601864 0.73 KIT (0.50) KDM4EALDH1A1TSHRSIGMAR1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1961748-A2 2-hydroxy-3-heteroarylindole derivatives as GSK3 inhibitors AstraZeneca AB (SE) 2008-08-27 EP claimed
US-20050153987-A1 Compounds ASTRAZENECA AB (SE) 2005-07-14 US claimed
US-7683067-B2 3-heterocyclyl-indole derivatives as inhibitors of glycogen synthase kinase-3 (GSK-3) ASTRAZENECA AB (SE) 2010-03-23 US disclosed
EP-1492785-B9 2-HYDROXY-3-HETEROARYLINDOLE DERIVATIVES AS GSK3 INHIBITORS ASTRAZENECA AB (SE) 2009-10-21 EP disclosed
US-20090149460-A1 New Compounds BERG STEFAN 2009-06-11 US disclosed
EP-1492785-B1 2-HYDROXY-3-HETEROARYLINDOLE DERIVATIVES AS GSK3 INHIBITORS ASTRAZENECA AB (SE) 2008-12-03 EP disclosed
US-20080275041-A1 3-Heterocyclyl-Indole Derivatives as Inhibitors of Glycogen Synthase Kinase-3 (Gsk-3) ASTRAZENECA AB (SE) 2008-11-06 US disclosed
EP-1961748-A2 2-hydroxy-3-heteroarylindole derivatives as GSK3 inhibitors AstraZeneca AB (SE) 2008-08-27 EP disclosed
US-7399780-B2 3-Heterocyclyl-indole inhibitors of glycogen synthase kinase-3 ASTRAZENECA AB (SE) 2008-07-15 US disclosed
EP-1667990-A2 NEW COMPOUNDS AstraZeneca AB (SE) 2006-06-14 EP disclosed
US-20050153987-A1 Compounds ASTRAZENECA AB (SE) 2005-07-14 US disclosed
WO-2005027823-A2 3-HETEROCYCLYL-INDOLE DERIVATIVES AS INHIBITORS OF GLYCOGEN SYNTHASE KINASE-3 (GSK-3) ASTRAZENECA AB (SE) 2005-03-31 WO disclosed
EP-1492785-A1 NEW COMPOUNDS AstraZeneca AB (SE) 2005-01-05 EP disclosed
WO-2003082853-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 2003-10-09 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 (3 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-20090149460-A1 New Compounds SDHA, CYP11B2, SERPINB1 KDM4E 4287/4885ALDH1A1 275/4885TSHR 4193/4885
US-20080275041-A1 3-Heterocyclyl-Indole Derivatives as Inhibitors of Glycogen Synthase Kinase-3 (Gsk-3) GSK3B, GSK3A, GSKIP KDM4E 2119/4885ALDH1A1 2460/4885TSHR 2837/4885
US-20050153987-A1 Compounds SDHA, CYP11B2, CYP11B1 KDM4E 3790/4885ALDH1A1 228/4885TSHR 4259/4885

“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.