SCHEMBL2863422

SCHEMBL2863422

CCOC(=O)C1CN(Cc2ccccc2)CCCN1Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.58
ATM Q13315 1/20 0.58
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
KDM4E B2RXH2 4/20 0.54
POLB P06746 1/20 0.53
ALDH1A1 P00352 4/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
HRH2 P25021 1/20 0.51

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
SCHEMBL124103 0.93 L3MBTL1 (0.55) L3MBTL1ATMMEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL2858521 0.91 L3MBTL1 (0.54) L3MBTL1ATMMEN1KMT2AKDM4E
SCHEMBL5640211 0.88 HRH2 (0.56) KDM4EALDH1A1HRH2
SCHEMBL11147455 0.86 MEN1 (0.55) L3MBTL1ATMMEN1KMT2AKDM4E
SCHEMBL4937902 0.85 MEN1 (0.71) L3MBTL1ATMMEN1KMT2AKDM4E
SCHEMBL1904635 0.85 MEN1 (0.71) L3MBTL1ATMMEN1KMT2AKDM4E
SCHEMBL1188654 0.85 MEN1 (0.71) L3MBTL1ATMMEN1KMT2AKDM4E
SCHEMBL1627052 0.84 MEN1 (0.77) L3MBTL1ATMMEN1KMT2AKDM4E
SCHEMBL8319572 0.83 AGTR2 (0.55) KDM4EALDH1A1HRH2
SCHEMBL9581725 0.82 L3MBTL1 (0.55) L3MBTL1ATMKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2934533-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2017-11-15 EP disclosed
US-9573961-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2017-02-21 US disclosed
US-20150329557-A1 Inhibitors of the Renal Outer Medullary Potassium Channel MERCK SHARP & DOHME CORP. (US) 2015-11-19 US disclosed
EP-2934533-A2 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2015-10-28 EP disclosed
WO-2014099633-A2 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2014-06-26 WO disclosed
US-7795267-B2 Bicyclic piperazine compound having TGR23 antagonistic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-14 US disclosed
US-20070072865-A1 Bicyclic piperazine compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-29 US disclosed
EP-1661898-A1 BICYCLIC PIPERAZINE COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2006-05-31 EP 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 (2 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-20150329557-A1 Inhibitors of the Renal Outer Medullary Potassium Channel KCNJ11, KCNJ1, KCNJ2 L3MBTL1 3556/4885ATM 3781/4885MEN1 324/4885
US-20070072865-A1 Bicyclic piperazine compound and use thereof GPR3, FFAR3, LPAR3 L3MBTL1 2503/4885ATM 3450/4885MEN1 4666/4885

“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.