SCHEMBL3063613

SCHEMBL3063613

Fc1ccc(NCc2ccc(N3CCN(c4ccccn4)CC3)nc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 6/20 0.54
▸ DRD3 P35462 6/20 0.54
▸ DRD4 P21917 3/20 0.54
▸ HTR1A P08908 3/20 0.54
▸ ADRA2C P18825 3/20 0.54
▸ DRD1 P21728 3/20 0.54
▸ DRD5 P21918 3/20 0.54
▸ HTR2A P28223 3/20 0.54
▸ HTR7 P34969 3/20 0.54
▸ HRH1 P35367 3/20 0.54
▸ KDM4E B2RXH2 2/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ MAPK1 P28482 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ SLC6A2 P23975 1/20 0.46
▸ SLC6A4 P31645 1/20 0.46
▸ SLC6A3 Q01959 1/20 0.46
▸ POLB P06746 1/20 0.46

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
SCHEMBL3058922 0.85 HRH4 (0.53) DRD2DRD3DRD4HTR1ADRD1
Hydrochloric Acid SCHEMBL3826981 0.84 HRH4 (0.52) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL4738295 0.82 BPTF (0.51) KDM4EGAAL3MBTL1LMNAAURKA
SCHEMBL4737532 0.82 GAA (0.51) KDM4EALDH1A1MAPK1GAAL3MBTL1
SCHEMBL22279049 0.79 P4HTM (0.51) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL22279043 0.78 P4HTM (0.50) KDM4EALDH1A1MAPK1GAAL3MBTL1
SCHEMBL22279048 0.76 GAA (0.55) KDM4EALDH1A1MAPK1GAAL3MBTL1
SCHEMBL3068332 0.76 DRD2 (0.54) DRD2DRD3DRD4HTR1AADRA2C
SCHEMBL22279042 0.75 P4HTM (0.47) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL13763544 0.74 MAPT (0.60) DRD2DRD3DRD4KDM4EALDH1A1

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-20100267697-A1 ION CHANNEL MODULATORS WYETH (US) 2010-10-21 — — US claimed
EP-2099754-A1 ION CHANNEL MODULATORS Wyeth a Corporation of the State of Delaware (US) 2009-09-16 — — EP claimed
WO-2008073929-A1 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 — — WO claimed
US-20100267697-A1 ION CHANNEL MODULATORS WYETH (US) 2010-10-21 — — US 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-20100267697-A1 ION CHANNEL MODULATORS CACNA1E, CACNA1A, CACNA1S DRD2 1271/4885DRD3 1383/4885DRD4 1949/4885

“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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