SCHEMBL6694944

SCHEMBL6694944

NC(=O)c1ccccc1N1CCN(Cc2ccc[nH]2)CC1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.57
DRD4 P21917 2/20 0.57
DRD3 P35462 2/20 0.57
NPC1 O15118 1/20 0.54
PARP2 Q9UGN5 1/20 0.51
PARP1 P09874 1/20 0.50
HTR7 P34969 3/20 0.43
HTR1A P08908 3/20 0.41
HTR6 P50406 1/20 0.40
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38

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
SCHEMBL6694947 0.80 DRD2 (0.64) DRD2DRD4DRD3HTR1A
SCHEMBL6701277 0.78 DRD2 (0.66) DRD2DRD4DRD3PARP2PARP1
SCHEMBL7253120 0.78 NPC1 (0.51) DRD2DRD4DRD3NPC1HTR7
SCHEMBL6701672 0.76 DRD2 (0.46) DRD2DRD4DRD3PARP2PARP1
SCHEMBL3968181 0.75 DRD2 (0.73) DRD2DRD4DRD3PARP2PARP1
SCHEMBL3121473 0.74 NPC1 (0.60) DRD2DRD4DRD3NPC1PARP1
SCHEMBL6968950 0.74 NPC1 (0.60) DRD2DRD4NPC1HTR7HTR1A
SCHEMBL6961329 0.74 NPC1 (0.60) NPC1HTR7HTR1A
SCHEMBL18046809 0.73 DRD2 (0.49) DRD2DRD4DRD3
SCHEMBL18046808 0.73 DRD2 (0.49) DRD2DRD4DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040044008-A1 Use of therapeutic benzamide derivatives DAUGAN ALAIN CLAUDE-MARIE (FR) 2004-03-04 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-20040044008-A1 Use of therapeutic benzamide derivatives MTTP, LIPC, CETP DRD2 4278/4885DRD4 4206/4885DRD3 4325/4885

“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.