SCHEMBL6411685

SCHEMBL6411685

O=C1CC(CN2CCC(Cc3cc(Cl)ccc3Br)CC2)c2ccccc2N1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 11/20 0.40
HTR1A P08908 10/20 0.40
SIGMAR1 Q99720 1/20 0.36
SLC6A2 P23975 1/20 0.35
ALDH1A1 P00352 2/20 0.35
ATM Q13315 2/20 0.35
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL6417116 0.89 SLC6A4 (0.41) SLC6A4HTR1A
SCHEMBL6414448 0.86 SLC6A4 (0.55) SLC6A4HTR1A
SCHEMBL6410371 0.84 HTR1A (0.46) SLC6A4HTR1A
SCHEMBL6415030 0.84 HTR7 (0.44) SLC6A4HTR1AMAPT
SCHEMBL6413036 0.84 HTR1A (0.43) SLC6A4HTR1AALDH1A1ATMKDM4E
SCHEMBL6412598 0.84 HTR1A (0.47) SLC6A4HTR1AGLA
SCHEMBL6420151 0.81 HTR1A (0.51) SLC6A4HTR1A
SCHEMBL6411153 0.79 HTR1A (0.56) SLC6A4HTR1ASIGMAR1
SCHEMBL6410154 0.77 HTR1A (0.44) SLC6A4HTR1AGLA
SCHEMBL6413919 0.77 HTR1A (0.58) SLC6A4HTR1A

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 1/4885SIGMAR1 60/4885

“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.