SCHEMBL4228201

SCHEMBL4228201

N#Cc1ccc(N2CCCNCC2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.56
TP53 P04637 1/20 0.56
DRD2 P14416 1/20 0.56
DRD3 P35462 1/20 0.56
ADRB1 P08588 4/20 0.52
HTR3E A5X5Y0 3/20 0.52
HTR3B O95264 3/20 0.52
HTR3A P46098 3/20 0.52
HTR3D Q70Z44 3/20 0.52
HTR3C Q8WXA8 3/20 0.52
SIGMAR1 Q99720 3/20 0.52
CHRNB2 P17787 4/20 0.51
CHRNA4 P43681 4/20 0.51
MAPKAPK2 P49137 4/20 0.48
CHRNA10 Q9GZZ6 1/20 0.47
CHRNA9 Q9UGM1 1/20 0.47
ADRB2 P07550 1/20 0.47
NCF1 P14598 1/20 0.47
PLD1 Q13393 1/20 0.47
EGLN2 Q96KS0 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
SCHEMBL6956744 0.93 KDM4E (0.63) KDM4ETP53DRD2DRD3ADRB1
SCHEMBL231077 0.93 KDM4E (0.63) KDM4ETP53DRD2DRD3ADRB1
Hydrochloric Acid SCHEMBL376202 0.91 KDM4E (0.61) KDM4ETP53DRD2DRD3ADRB1
Hydrochloric Acid SCHEMBL23303443 0.91 KDM4E (0.61) KDM4ETP53DRD2DRD3ADRB1
SCHEMBL24989037 0.87 KDM4E (0.58) KDM4ETP53DRD2DRD3ADRB1
SCHEMBL22925793 0.86 KDM4E (0.51) KDM4ETP53DRD2DRD3CHRNB2
SCHEMBL154178 0.85 KDM4E (0.68) KDM4ETP53CHRNA10CHRNA9
SCHEMBL7402909 0.85 KDM4E (0.68) KDM4ETP53DRD2DRD3CHRNA10
SCHEMBL149656 0.83 KDM4E (0.66) KDM4ETP53CHRNA10CHRNA9
SCHEMBL139427 0.83 KDM4E (0.66) KDM4ETP53CHRNA10CHRNA9

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
WO-2023011596-A1 AMIDE COMPOUND AND USE THEREOF 中国药科大学 2023-02-09 WO disclosed
CN-105085359-A Nitrogen-containing heterocyclic substituted pyrrolidine formyl thiomorpholin DPP-IV inhibitor INST MATERIA MEDICA CAMS 2015-11-25 CN disclosed
US-20090233910-A1 Npy antagonists, preparation and uses CEREP (FR) 2009-09-17 US disclosed
EP-1879887-A2 NPY ANTAGONISTS, PREPARATION AND USE Cerep (FR) 2008-01-23 EP disclosed
US-20070219234-A1 Thienopyridine Derivatives SANKYO COMPANY, LIMITED (JP) 2007-09-20 US disclosed
EP-1764367-A1 THIENOPYRIDINE DERIVATIVES Sankyo Company, Limited (JP) 2007-03-21 EP disclosed
WO-2006108965-A2 NPY ANTAGONISTS, PREPARATION AND USE CEREP (FR) 2006-10-19 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 (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-20090233910-A1 Npy antagonists, preparation and uses NPY1R, NPY5R, NPY2R KDM4E 1604/4885TP53 4698/4885DRD2 337/4885
US-20070219234-A1 Thienopyridine Derivatives RASGRP1, NRAS, HRH3 KDM4E 1851/4885TP53 2363/4885DRD2 756/4885

“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.