SCHEMBL3380995

SCHEMBL3380995

O=C(c1cccc(NCc2ccccc2)c1)N1CCOC(c2ccccc2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.46
USP30 Q70CQ3 1/20 0.42
ALDH1A1 P00352 3/20 0.42
PDE2A O00408 1/20 0.41
GAA P10253 2/20 0.41
NTRK1 P04629 1/20 0.41
PKM P14618 1/20 0.41
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
SLC6A7 Q99884 1/20 0.41
POLB P06746 1/20 0.41
NAMPT P43490 1/20 0.41
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL1710855 0.88 SLC6A7 (0.53) CNR2USP30ALDH1A1PDE2AGAA
SCHEMBL3380989 0.85 KDM1A (0.51) ALDH1A1RAB9AHPGDMAPK1SMN1; SMN2
SCHEMBL20394940 0.83 NAMPT (0.45) USP30PDE2ARAB9ANAMPTHDAC8
SCHEMBL3379277 0.82 ALDH1A1 (0.60) ALDH1A1GAANTRK1RAB9AKDM4E
SCHEMBL3275575 0.82 NPC1 (0.52) CNR2PDE2AGAARAB9AKDM4E
SCHEMBL3379832 0.81 PARP1 (0.53) PKMRAB9AMAPK1SMN1; SMN2NAMPT
SCHEMBL20394937 0.80 ALDH1A1 (0.51) USP30ALDH1A1RAB9AHPGDPOLB
SCHEMBL20394939 0.77 PRMT5 (0.47) USP30ALDH1A1PDE2AGAARAB9A
SCHEMBL7024706 0.76 TPSAB1 (0.53)
Hydrochloric Acid SCHEMBL4401984 0.76 TPSAB1 (0.52)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2342177-B1 NOVEL POTASSIUM CHANNEL BLOCKERS JAPAN TOBACCO INC (JP) 2017-02-15 EP claimed
US-9447033-B2 Potassium channel blockers JAPAN TOBACCO INC. (JP) 2016-09-20 US disclosed
US-20150259282-A1 Potassium Channel Blockers XENTION LIMITED (GB) 2015-09-17 US disclosed
US-9073834-B2 Potassium channel blockers XENTION LIMITED (GB) 2015-07-07 US disclosed
US-20140221337-A1 Potassium Channel Blockers XENTION LIMITED (GB) 2014-08-07 US disclosed
US-8673901-B2 Potassium channel blockers XENTION LIMITED (GB) 2014-03-18 US disclosed
US-20100087428-A1 Novel Potassium Channel Blockers XENTION LIMITED (GB) 2010-04-08 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 (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-20140221337-A1 Potassium Channel Blockers KCNJ2, KCNH2, KCNB1 CNR2 678/4885USP30 4379/4885ALDH1A1 1360/4885
US-20100087428-A1 Novel Potassium Channel Blockers HCN4, SCN2B, KCNH2 CNR2 105/4885USP30 2936/4885ALDH1A1 3795/4885
US-20150259282-A1 Potassium Channel Blockers KCNJ2, KCNH2, KCNB1 CNR2 678/4885USP30 4379/4885ALDH1A1 1360/4885

“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.