SCHEMBL3379832

SCHEMBL3379832

O=C(c1cccc(NCc2ccccc2)c1)N1CCC(c2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.53
PARP14 Q460N5 2/20 0.52
PARP10 Q53GL7 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.50
DRD4 P21917 1/20 0.50
NAMPT P43490 1/20 0.50
TP53BP1 Q12888 1/20 0.50
L3MBTL3 Q96JM7 1/20 0.50
NPC1 O15118 1/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
PKM P14618 1/20 0.47
RAB9A P51151 1/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL7024706 0.92 TPSAB1 (0.53) PARP14PARP10
Hydrochloric Acid SCHEMBL4401984 0.91 TPSAB1 (0.52) PARP14PARP10
SCHEMBL3379826 0.84 KDM1A (0.56) PARP1PARP14PARP10L3MBTL1DRD4
Hydrochloric Acid SCHEMBL4407632 0.83 TPSAB1 (0.47) PARP1
Hydrochloric Acid SCHEMBL4399004 0.83 LMNA (0.48) LMNA
SCHEMBL10720101 0.82 PARP14 (0.65) PARP14PARP10L3MBTL1NAMPTL3MBTL3
SCHEMBL3379277 0.82 ALDH1A1 (0.60) PARP1L3MBTL1RAB9ATSHRMAPK1
Hydrochloric Acid SCHEMBL4406904 0.81 TPSAB1 (0.48) PARP1PARP14PARP10DRD4
SCHEMBL3380995 0.81 CNR2 (0.46) L3MBTL1NAMPTPKMRAB9AMEN1
SCHEMBL4785013 0.81 PARP14 (0.56) PARP14PARP10NAMPTNPC1CA12

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 PARP1 2785/4885PARP14 1195/4885PARP10 1052/4885
US-20100087428-A1 Novel Potassium Channel Blockers HCN4, SCN2B, KCNH2 PARP1 4760/4885PARP14 3364/4885PARP10 3415/4885
US-20150259282-A1 Potassium Channel Blockers KCNJ2, KCNH2, KCNB1 PARP1 2785/4885PARP14 1195/4885PARP10 1052/4885

“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.