SCHEMBL6416894

SCHEMBL6416894

CCCN1CC(CN2CCC(Cc3cc(F)ccc3Br)CC2)COC1=O

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 18/20 0.44
HTR1A P08908 16/20 0.44
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
CYP2D6 P10635 1/20 0.38
DPP4 P27487 1/20 0.35

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
SCHEMBL6412205 0.91 SLC6A4 (0.46) SLC6A4HTR1ACHRM5CHRM1CHRM3
SCHEMBL6412512 0.90 HTR1A (0.43) SLC6A4HTR1ACYP2D6
SCHEMBL6435066 0.89 SLC6A4 (0.42) SLC6A4HTR1A
SCHEMBL6414678 0.89 CCR3 (0.37) SLC6A4HTR1ACHRM5CHRM1CHRM3
SCHEMBL6417037 0.88 HTR1A (0.54) SLC6A4HTR1ACYP2D6
SCHEMBL6412207 0.87 HTR1A (0.53) SLC6A4HTR1ACYP2D6
SCHEMBL6419379 0.86 SLC6A4 (0.44) SLC6A4HTR1ACHRM5CHRM1CHRM3
SCHEMBL6414433 0.86 HTR1A (0.53) SLC6A4HTR1ACYP2D6
SCHEMBL6415988 0.85 ATM (0.43) SLC6A4HTR1A
SCHEMBL6412127 0.85 SLC6A4 (0.42) SLC6A4HTR1ACYP2D6

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 SLC6A4 2/4885HTR1A 1/4885CHRM5 305/4885

“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.