SCHEMBL4436265

SCHEMBL4436265

c1ccc(CC2CCN(c3nc4ccccc4[nH]3)CC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 5/20 0.65
GRIN1 Q05586 2/20 0.65
TRPC3 Q13507 1/20 0.64
GRIN2A Q12879 2/20 0.59
BCHE P06276 1/20 0.58
ACHE P22303 1/20 0.58
HTR3A P46098 1/20 0.57
GRIN2C Q14957 1/20 0.57
TP53 P04637 2/20 0.56
MAPT P10636 3/20 0.53
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 2/20 0.53
HPGD P15428 2/20 0.53
MAPK1 P28482 1/20 0.53
RECQL P46063 1/20 0.53
HSD17B10 Q99714 1/20 0.53
RAB9A P51151 2/20 0.51
TSHR P16473 1/20 0.51
HCRTR1 O43613 1/20 0.50
HCRTR2 O43614 1/20 0.50

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
SCHEMBL4433260 0.84 TRPC3 (0.55) GRIN2BGRIN1TRPC3GRIN2ABCHE
SCHEMBL4434909 0.84 TRPC3 (0.55) GRIN2BGRIN1TRPC3GRIN2ABCHE
SCHEMBL4713162 0.83 TRPC3 (0.68) TRPC3BCHEACHEHTR3ATP53
SCHEMBL9369695 0.83 TRPC3 (0.68) TRPC3BCHEACHEHTR3ATP53
SCHEMBL6001989 0.82 GFER (0.62) GRIN2BGRIN1TRPC3TP53MAPT
SCHEMBL5208408 0.82 MEN1 (0.56) GRIN2BGRIN1TRPC3MAPTLMNA
SCHEMBL4704811 0.81 TRPC3 (0.64) TRPC3BCHEACHEHTR3ATP53
SCHEMBL14587776 0.81 TRPC3 (0.68) TRPC3BCHEACHEHTR3ATP53
SCHEMBL4427814 0.81 MEN1 (0.55) GRIN2BGRIN1TRPC3TP53MAPT
SCHEMBL5372873 0.81 CHEK2 (0.57) GRIN2BGRIN1

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 GRIN2B 128/4885GRIN1 155/4885TRPC3 232/4885

“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.