SCHEMBL6413803

SCHEMBL6413803

CN(C)C(=O)OC1CCC(CCN2CCC(Cc3cc(Cl)ccc3Br)CC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 12/20 0.48
SLC6A4 P31645 12/20 0.48
CACNA1I Q9P0X4 1/20 0.41
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
DRD2 P14416 2/20 0.41
CYP2D6 P10635 2/20 0.41

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
SCHEMBL6411854 0.94 HTR1A (0.46) HTR1ASLC6A4NOS3NOS1NOS2
SCHEMBL6412932 0.90 HTR1A (0.48) HTR1ASLC6A4DRD2
SCHEMBL6416598 0.88 HTR1A (0.58) HTR1ASLC6A4
SCHEMBL6418318 0.87 HTR1A (0.48) HTR1ASLC6A4CACNA1ICYP2D6
SCHEMBL6415420 0.86 HTR1A (0.52) HTR1ASLC6A4CYP2D6
SCHEMBL6420152 0.84 HTR1A (0.47) HTR1ASLC6A4
SCHEMBL6419239 0.84 HTR1A (0.57) HTR1ASLC6A4CYP2D6
SCHEMBL6419368 0.83 HTR1A (0.52) HTR1ASLC6A4
SCHEMBL6413952 0.83 HTR1A (0.56) HTR1ASLC6A4
SCHEMBL6410650 0.82 HTR1A (0.46) HTR1ASLC6A4CACNA1ICYP2D6

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 HTR1A 1/4885SLC6A4 2/4885CACNA1I 495/4885

“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.