SCHEMBL3357016

SCHEMBL3357016

N#Cc1cccnc1N1CCOCC1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
MAPT P10636 1/20 0.60
DRD2 P14416 4/20 0.58
HTR2A P28223 3/20 0.58
KDM4E B2RXH2 7/20 0.57
RECQL P46063 1/20 0.57
LMNA P02545 1/20 0.55
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
HSD11B1 P28845 1/20 0.52
KCNMA1 Q12791 1/20 0.51
LRRK2 Q5S007 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
HPGD P15428 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL30449208 1.00 ALDH1A1 (0.60) ALDH1A1MAPTDRD2HTR2AKDM4E
SCHEMBL3291175 0.94 ALDH1A1 (0.55) ALDH1A1MAPTDRD2HTR2AKDM4E
SCHEMBL565864 0.85 KDM4E (0.61) ALDH1A1MAPTDRD2HTR2AKDM4E
SCHEMBL3287137 0.85 KDM4E (0.61) ALDH1A1MAPTDRD2HTR2AKDM4E
SCHEMBL30748716 0.83 KDM4E (0.59) ALDH1A1MAPTDRD2HTR2AKDM4E
SCHEMBL6822065 0.83 KDM4E (0.59) ALDH1A1MAPTDRD2HTR2AKDM4E
SCHEMBL3290416 0.83 KDM4E (0.59) ALDH1A1MAPTDRD2HTR2AKDM4E
SCHEMBL3291180 0.83 KDM4E (0.67) ALDH1A1MAPTDRD2HTR2AKDM4E
SCHEMBL27939424 0.82 KDM4E (0.58) ALDH1A1MAPTDRD2HTR2AKDM4E
SCHEMBL2750963 0.82 KDM4E (0.58) ALDH1A1MAPTDRD2HTR2AKDM4E

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3820860-B1 PYRIDAZINE COMPOUNDS FOR INHIBITING NAV1.8 LIEBER INST INC (US) 2025-10-15 EP disclosed
US-11993581-B2 Pyridazine compounds for inhibiting Nav1.8 LIEBER INSTITUE, INC (US) 2024-05-28 US disclosed
CN-112689629-B For inhibiting Nav1.8 Pyridazine Compounds 利伯研究所公司 2024-04-23 CN disclosed
EP-3820860-A1 PYRIDAZINE COMPOUNDS FOR INHIBITING NAV1.8 Lieber Institute, Inc. (US) 2021-05-19 EP disclosed
US-20210139456-A1 PYRIDAZINE COMPOUNDS FOR INHIBITING NAV1.8 LIEBER INSTITUTE, INC 2021-05-13 US disclosed
US-20210139456-A1 PYRIDAZINE COMPOUNDS FOR INHIBITING NAV1.8 LIEBER INSTITUTE, INC 2021-05-13 US disclosed
CN-112689629-A For inhibiting Nav1.8 pyridazine Compounds 利伯研究所公司 2021-04-20 CN disclosed
EP-2589592-B1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM CORP (JP) 2018-08-22 EP disclosed
US-20180201616-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives GRUENENTHAL GMBH (DE) 2018-07-19 US disclosed
US-20170197970-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives GRUENENTHAL GMBH (DE) 2017-07-13 US disclosed
US-8809371-B2 2014-08-19 US disclosed
US-8809371-B2 2014-08-19 US disclosed
US-8772320-B2 2014-07-08 US disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 US disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 US disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 US disclosed
EP-2589592-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM Corporation (JP) 2013-05-08 EP disclosed
EP-2589592-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM Corporation (JP) 2013-05-08 EP disclosed
WO-2012002577-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF 富士フイルム株式会社 (JP) 2012-01-05 WO disclosed
WO-2004043947-A1 NOVEL PYRIDINE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2004-05-27 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 (5 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-20210139456-A1 PYRIDAZINE COMPOUNDS FOR INHIBITING NAV1.8 SCN8A, SCN5A, SCN2A ALDH1A1 3396/4885MAPT 1531/4885DRD2 2308/4885
US-20170197970-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, OPRL1 ALDH1A1 337/4885MAPT 3629/4885DRD2 426/4885
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF SYK, CD38, BTK ALDH1A1 1638/4885MAPT 4186/4885DRD2 1994/4885
US-20180201616-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, OPRL1 ALDH1A1 337/4885MAPT 3629/4885DRD2 426/4885
US-11993581-B2 Pyridazine compounds for inhibiting Nav1.8 SCN8A, SCN5A, SCN2A ALDH1A1 3396/4885MAPT 1531/4885DRD2 2308/4885

“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.