SCHEMBL13033489

SCHEMBL13033489

CN(C)CCN1CCN(c2cccc(-c3nc4ccccc4[nH]3)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.56
DRD2 P14416 8/20 0.55
DRD3 P35462 8/20 0.55
HTR1A P08908 2/20 0.54
HTR2A P28223 2/20 0.54
TERT O14746 2/20 0.51
DRD4 P21917 4/20 0.49
KDM4E B2RXH2 2/20 0.48
NPC1 O15118 2/20 0.48
ALDH1A1 P00352 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
POLB P06746 1/20 0.48
TP53 P04637 1/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
NPBWR1 P48145 1/20 0.46
ADRA2C P18825 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
SCHEMBL3511121 0.86 DRD2 (0.58) ACHEDRD2DRD3HTR1AHTR2A
SCHEMBL13033512 0.85 ACHE (0.76) ACHEDRD2DRD3HTR1AHTR2A
SCHEMBL13033493 0.83 DRD2 (0.61) ACHEDRD2DRD3HTR1AHTR2A
SCHEMBL13033508 0.83 ACHE (0.58) ACHEDRD2DRD3HTR1AHTR2A
SCHEMBL3510972 0.82 ACHE (0.51) ACHEDRD2DRD3HTR1AHTR2A
SCHEMBL13033513 0.81 ACHE (0.56) ACHEDRD2DRD3HTR1AHTR2A
SCHEMBL7637232 0.81 SMN1; SMN2 (0.58) ACHEDRD2DRD3HTR1AHTR2A
SCHEMBL3511927 0.81 ACHE (0.53) ACHEDRD2DRD3HTR1AHTR2A
SCHEMBL13033488 0.81 LMNA (0.51) ACHEDRD2DRD3DRD4KDM4E
SCHEMBL3510803 0.79 ACHE (0.48) ACHEDRD2DRD3HTR1AHTR2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286114-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SIENA BIOTECH S.P.A. (IT) 2010-11-11 US disclosed
US-20100286114-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SIENA BIOTECH S.P.A. (IT) 2010-11-11 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-20100286114-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SHH, GLI1, SMO ACHE 4747/4885DRD2 4279/4885DRD3 4396/4885

“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.