SCHEMBL4436381

SCHEMBL4436381

c1ccc(CN2CCN(c3nc4ccccc4[nH]3)CC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.61
ACHE P22303 1/20 0.61
HTR3A P46098 1/20 0.60
DRD4 P21917 5/20 0.59
TP53 P04637 1/20 0.58
MAPT P10636 3/20 0.58
KDM4E B2RXH2 2/20 0.58
ALDH1A1 P00352 2/20 0.58
LMNA P02545 2/20 0.58
HPGD P15428 1/20 0.58
HCRTR1 O43613 1/20 0.58
HCRTR2 O43614 1/20 0.58
TSHR P16473 2/20 0.57
HTT P42858 1/20 0.57
RAB9A P51151 2/20 0.57
USP2 O75604 1/20 0.56
HSD17B10 Q99714 1/20 0.56
TRPC3 Q13507 1/20 0.56
DRD2 P14416 2/20 0.55
GAA P10253 2/20 0.54

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
SCHEMBL5626446 0.82 DRD4 (0.74) DRD4KDM4EALDH1A1HPGDHTT
SCHEMBL10247572 0.82 ACHE (0.65) BCHEACHEHTR3ADRD4TP53
SCHEMBL5321169 0.82 HTR3A (0.67) HTR3ADRD4MAPTKDM4EALDH1A1
SCHEMBL23652563 0.81 HSD17B10 (0.64) HTR3AKDM4EALDH1A1LMNATSHR
Hydrochloric Acid SCHEMBL1775985 0.80 ACHE (0.61) BCHEACHEHTR3ADRD4TP53
Hydrochloric Acid SCHEMBL1775988 0.80 ACHE (0.61) BCHEACHEHTR3ADRD4TP53
SCHEMBL5732767 0.80 CHEK2 (0.59) BCHEACHEKDM4EALDH1A1LMNA
SCHEMBL5732762 0.80 TSHR (0.52) KDM4EALDH1A1LMNATSHRHTT
SCHEMBL30169579 0.80 KCNH2 (0.61) BCHEACHEHTR3ADRD4TP53
SCHEMBL9202923 0.79 HTT (0.76) DRD4KDM4EALDH1A1HPGDHTT

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 4 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 claimed
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 BCHE 1229/4885ACHE 387/4885HTR3A 81/4885

“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.