SCHEMBL6416692

SCHEMBL6416692

NC(=O)OC1CCC(CCCN2CCC(Cc3cc(F)ccc3Br)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 13/20 0.47
SLC6A4 P31645 13/20 0.47
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
DRD2 P14416 1/20 0.39
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38

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
SCHEMBL6417362 0.94 HTR1A (0.48) HTR1ASLC6A4
SCHEMBL6410650 0.89 HTR1A (0.46) HTR1ASLC6A4
SCHEMBL6409835 0.88 HTR1A (0.57) HTR1ASLC6A4
SCHEMBL6420152 0.88 HTR1A (0.47) HTR1ASLC6A4CHRM5CHRM1CHRM3
SCHEMBL6415784 0.86 HTR1A (0.52) HTR1ASLC6A4
SCHEMBL6412024 0.86 HTR1A (0.55) HTR1ASLC6A4
SCHEMBL6411143 0.84 HTR1A (0.50) HTR1ASLC6A4CHRM5CHRM1CHRM3
SCHEMBL6416745 0.84 HTR1A (0.50) HTR1ASLC6A4CHRM5CHRM1CHRM3
SCHEMBL6411105 0.84 HTR1A (0.50) HTR1ASLC6A4CHRM5CHRM1CHRM3
SCHEMBL6411795 0.84 HTR1A (0.50) HTR1ASLC6A4CHRM5CHRM1CHRM3

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 2/4885DPP4 3644/4885

“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.