SCHEMBL6409972

SCHEMBL6409972

COCCNC1CCC(CCCN2CCC(Cc3cc(F)ccc3Br)CC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 17/20 0.49
SLC6A4 P31645 17/20 0.49
CYP2D6 P10635 2/20 0.41
HTR2A P28223 2/20 0.40
DRD3 P35462 2/20 0.40
BCHE P06276 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
ACHE P22303 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
SCHEMBL6409977 1.00 HTR1A (0.49) HTR1ASLC6A4CYP2D6HTR2ADRD3
SCHEMBL6411233 0.94 HTR1A (0.51) HTR1ASLC6A4CYP2D6HTR2ADRD3
SCHEMBL6411235 0.94 HTR1A (0.51) HTR1ASLC6A4CYP2D6HTR2ADRD3
SCHEMBL6413855 0.89 HTR1A (0.57) HTR1ASLC6A4CYP2D6
SCHEMBL6413860 0.89 HTR1A (0.57) HTR1ASLC6A4CYP2D6
SCHEMBL6417422 0.89 HTR1A (0.49) HTR1ASLC6A4CYP2D6HTR2ADRD3
SCHEMBL6417417 0.89 HTR1A (0.49) HTR1ASLC6A4CYP2D6HTR2ADRD3
SCHEMBL6417511 0.88 HTR1A (0.48) HTR1ASLC6A4CYP2D6HTR2ADRD3
SCHEMBL6413953 0.88 HTR1A (0.48) HTR1ASLC6A4CYP2D6HTR2ADRD3
SCHEMBL6413949 0.88 HTR1A (0.48) HTR1ASLC6A4CYP2D6HTR2ADRD3

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 2/4885CYP2D6 323/4885

“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.