SCHEMBL4428203

SCHEMBL4428203

Clc1ccc(Cn2c(N3CCN(C(c4ccccc4)c4ccccc4)CC3)nc3ccccc32)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.58
MEN1 O00255 2/20 0.58
MAPT P10636 2/20 0.58
KMT2A Q03164 2/20 0.58
KDM4E B2RXH2 1/20 0.58
GAA P10253 1/20 0.58
MAPK1 P28482 1/20 0.58
HTR3A P46098 5/20 0.58
SOS1 Q07889 2/20 0.53
TNF P01375 1/20 0.51
CXCL8 P10145 1/20 0.51
NOD2 Q9HC29 1/20 0.51
NOD1 Q9Y239 1/20 0.51
GALR3 O60755 1/20 0.51
NR2F2 P24468 1/20 0.51
RAB9A P51151 1/20 0.51
HRH1 P35367 6/20 0.51
CYP2D6 P10635 5/20 0.51
KCNH2 Q12809 4/20 0.51
HIF1A Q16665 2/20 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
SCHEMBL4435849 0.93 HTR3A (0.67) KDM4EHTR3AHRH1CYP2D6KCNH2
SCHEMBL20715423 0.84 CYP2D6 (0.66) NPSR1MEN1MAPTKMT2AKDM4E
SCHEMBL20715427 0.83 CYP2D6 (0.64) NPSR1MEN1MAPTKMT2AKDM4E
SCHEMBL7168715 0.82 HTR3A (0.81) KDM4EHTR3ATNFHRH1CYP2D6
SCHEMBL15963052 0.79 NPSR1 (0.61) NPSR1MEN1MAPTKMT2AKDM4E
SCHEMBL7667116 0.79
SCHEMBL8879490 0.79 HTR3A (0.71) NPSR1MEN1MAPTKMT2AKDM4E
SCHEMBL10967129 0.76 HTR3A (0.71) HTR3A
SCHEMBL9513301 0.76 DRD2 (0.56) MEN1KMT2AGAAMAPK1HRH1
SCHEMBL4428154 0.76 HSD11B1 (0.58) MEN1MAPTKMT2AKDM4EHRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090239880-A1 COMBINATIONS OF MONOAMINE REUPTAKE INHIBITORS AND POTASSIUM CHANNEL ACTIVATORS NEUROSEARCH A/S (DK) 2009-09-24 US disclosed
EP-2043641-A2 COMBINATIONS OF MONOAMINE REUPTAKE INHIBITORS AND POTASSIUM CHANNEL ACTIVATORS NeuroSearch A/S (DK) 2009-04-08 EP disclosed
WO-2008003667-A2 COMBINATIONS OF MONOAMINE REUPTAKE INHIBITORS AND POTASSIUM CHANNEL ACTIVATORS NEUROSEARCH A/S (DK) 2008-01-10 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 (1 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-20090239880-A1 COMBINATIONS OF MONOAMINE REUPTAKE INHIBITORS AND POTASSIUM CHANNEL ACTIVATORS SLC6A2, SLC18A2, SLC6A4 NPSR1 180/4885MEN1 2754/4885MAPT 1098/4885

“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.