SCHEMBL4433260

SCHEMBL4433260

Clc1ccc(CC2CCN(c3nc4ccccc4[nH]3)CC2)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPC3 Q13507 2/20 0.55
TP53 P04637 4/20 0.51
BCHE P06276 1/20 0.50
ACHE P22303 1/20 0.50
HTR3A P46098 1/20 0.49
MAPT P10636 3/20 0.48
ALKBH3 Q96Q83 1/20 0.48
GRIN2B Q13224 2/20 0.48
GRIN1 Q05586 1/20 0.48
LMNA P02545 2/20 0.47
CCR3 P51677 1/20 0.46
RAB9A P51151 1/20 0.44
GRIN2A Q12879 1/20 0.44

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
SCHEMBL4436265 0.84 GRIN2B (0.65) TRPC3TP53BCHEACHEHTR3A
SCHEMBL4434909 0.84 TRPC3 (0.55) TRPC3TP53BCHEACHEHTR3A
SCHEMBL4434921 0.78 TRPC3 (0.56) TRPC3TP53BCHEACHEHTR3A
SCHEMBL4428209 0.77 TRPC3 (0.55) TRPC3TP53BCHEACHEHTR3A
SCHEMBL9369695 0.76 TRPC3 (0.68) TRPC3TP53BCHEACHEHTR3A
SCHEMBL4713162 0.76 TRPC3 (0.68) TRPC3TP53BCHEACHEHTR3A
SCHEMBL10271239 0.74 TP53 (0.46) TRPC3TP53BCHEACHEHTR3A
SCHEMBL14587776 0.74 TRPC3 (0.68) TRPC3TP53BCHEACHEHTR3A
SCHEMBL4704811 0.74 TRPC3 (0.64) TRPC3TP53BCHEACHEHTR3A
SCHEMBL7079118 0.74 GRIN1 (0.50) ALKBH3GRIN2BGRIN1CCR3

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 6 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
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
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 TRPC3 232/4885TP53 4885/4885BCHE 1229/4885

“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.