SCHEMBL6411147

SCHEMBL6411147

CN(C)C(=O)N1CCCC(CCCN2CCC(Cc3cc(Cl)ccc3Br)CC2)C1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.44
DRD3 P35462 2/20 0.44
HTR1A P08908 10/20 0.44
SLC6A4 P31645 10/20 0.44
SMN1; SMN2 Q16637 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
KDM4E B2RXH2 2/20 0.39
CYP2D6 P10635 1/20 0.39
ALDH1A1 P00352 1/20 0.39
EPHX2 P34913 1/20 0.37
CCR3 P51677 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL6413305 0.95 HTR1A (0.45) DRD2DRD3HTR1ASLC6A4SMN1; SMN2
SCHEMBL6418635 0.91 HTR1A (0.46) HTR1ASLC6A4SMN1; SMN2KDM4ECYP2D6
SCHEMBL6414334 0.90 DRD2 (0.54) DRD2DRD3HTR1ASLC6A4NOS3
SCHEMBL6417556 0.88 HTR1A (0.44) HTR1ASLC6A4SMN1; SMN2KDM4ECYP2D6
SCHEMBL6413726 0.88 SLC6A4 (0.43) HTR1ASLC6A4SMN1; SMN2KDM4ECYP2D6
SCHEMBL6410528 0.88 HTR1A (0.54) HTR1ASLC6A4SMN1; SMN2CCR3
SCHEMBL6417194 0.88 HTR1A (0.48) HTR1ASLC6A4SMN1; SMN2KDM4ECYP2D6
SCHEMBL6412370 0.87 SLC6A4 (0.43) HTR1ASLC6A4SMN1; SMN2NOS3NOS1
SCHEMBL6416259 0.87 HTR1A (0.50) HTR1ASLC6A4CYP2D6CCR3
SCHEMBL6412447 0.86 HTR1A (0.47) HTR1ASLC6A4SMN1; SMN2KDM4ECYP2D6

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.