SCHEMBL4433280

SCHEMBL4433280

c1ccc(C(c2ccccc2)N2CCN(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
▸ TP53 P04637 2/20 0.58
▸ MAPT P10636 3/20 0.57
▸ RAB9A P51151 1/20 0.57
▸ TRPC3 Q13507 1/20 0.56
▸ OGA O60502 1/20 0.55
▸ ALDH1A1 P00352 3/20 0.55
▸ LMNA P02545 2/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ HPGD P15428 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ HTR2B P41595 1/20 0.52
▸ SORD Q00796 1/20 0.50
▸ GAA P10253 1/20 0.49
▸ GLA P06280 1/20 0.48
▸ NTSR1 P30989 1/20 0.48
▸ ABCB1 P08183 1/20 0.48

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
SCHEMBL4429875 0.89 BCHE (0.56) BCHEACHEHTR3ATP53MAPT
SCHEMBL4556495 0.80 OPRD1 (0.51) TP53MAPTOGAALDH1A1LMNA
SCHEMBL4556496 0.80 NPY5R (0.56) HTR2BNPY5R
SCHEMBL2674037 0.78 BCHE (0.90) BCHEACHEHTR3ATP53MAPT
SCHEMBL2676103 0.78 BCHE (0.96) BCHEACHEHTR3ATP53MAPT
SCHEMBL4428326 0.78 TRPC3 (0.64) BCHEACHEHTR3ATP53MAPT
SCHEMBL5309716 0.77 BCHE (0.71) BCHEACHEHTR3ATP53MAPT
SCHEMBL717865 0.77 BCHE (1.00) BCHEACHEHTR3ATP53MAPT
SCHEMBL2241920 0.77 BCHE (1.00) BCHEACHEHTR3ATP53MAPT
SCHEMBL3399014 0.77 DRD4 (0.53) TP53MAPTRAB9AOGAALDH1A1

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.

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