SCHEMBL6414334

SCHEMBL6414334

CN(C)C(=O)N1CCC(CCCN2CCC(Cc3cc(Cl)ccc3Br)CC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.54
DRD3 P35462 2/20 0.54
HTR1A P08908 14/20 0.47
SLC6A4 P31645 14/20 0.47
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
CYP2D6 P10635 1/20 0.41
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL6414057 0.90 HTR1A (0.50) DRD2DRD3HTR1ASLC6A4CYP2D6
SCHEMBL6411147 0.90 DRD2 (0.44) DRD2DRD3HTR1ASLC6A4NOS3
SCHEMBL6417634 0.87 HTR1A (0.52) DRD2DRD3HTR1ASLC6A4CYP2D6
SCHEMBL6420105 0.87 HTR1A (0.48) DRD2DRD3HTR1ASLC6A4CYP2D6
SCHEMBL6416543 0.87 SLC6A4 (0.47) DRD2DRD3HTR1ASLC6A4CYP2D6
SCHEMBL6410489 0.87 HTR1A (0.58) DRD2DRD3HTR1ASLC6A4
SCHEMBL6412961 0.86 HTR1A (0.46) DRD2DRD3HTR1ASLC6A4NOS3
SCHEMBL6412318 0.86 HTR1A (0.54) DRD2DRD3HTR1ASLC6A4CYP2D6
SCHEMBL6410847 0.85 SLC6A4 (0.46) DRD2DRD3HTR1ASLC6A4CYP2D6
SCHEMBL6411854 0.85 HTR1A (0.46) DRD2DRD3HTR1ASLC6A4NOS3

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-20050065140-A1 Serotonine reuptake inhibitor SUMITOMO PHARMACEUTICALS COMPANY LIMITED (JP) 2005-03-24 US disclosed
EP-1466901-A1 SEROTONINE REUPTAKE INHIBITOR SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-10-13 EP 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-20050065140-A1 Serotonine reuptake inhibitor HTR1A, SLC6A4, SLC6A2 DRD2 79/4885DRD3 194/4885HTR1A 1/4885

“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.