SCHEMBL6413755

SCHEMBL6413755

O=C1SC(CN2CCC(Cc3cc(F)ccc3Br)CC2)CN1CC1CC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 12/20 0.42
HTR1A P08908 10/20 0.42
DRD2 P14416 2/20 0.36
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
HTR2B P41595 2/20 0.36
SIGMAR1 Q99720 2/20 0.36
CCR3 P51677 1/20 0.35
CCR5 P51681 1/20 0.35
OPRM1 P35372 1/20 0.34
OPRK1 P41145 1/20 0.34
OPRL1 P41146 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
SCHEMBL6411998 0.91 SLC6A4 (0.44) SLC6A4HTR1A
SCHEMBL6414818 0.89 SLC6A4 (0.44) SLC6A4HTR1ADRD2
SCHEMBL6416128 0.88 HTR1A (0.42) SLC6A4HTR1A
SCHEMBL6413207 0.88 CCR3 (0.37) SLC6A4HTR1ADRD2HTR2AHTR2C
SCHEMBL6417120 0.88 ATM (0.43) SLC6A4HTR1ASIGMAR1CCR3CCR5
SCHEMBL6415104 0.85 SLC6A4 (0.54) SLC6A4HTR1ACCR3CCR5
SCHEMBL6416000 0.84 SLC6A4 (0.43) SLC6A4HTR1ACCR3CCR5
SCHEMBL6412886 0.84 HTR1A (0.48) SLC6A4HTR1A
SCHEMBL6412803 0.83 SLC6A4 (0.41) SLC6A4HTR1AOPRM1OPRK1OPRL1
SCHEMBL6415371 0.83 SLC6A4 (0.41) SLC6A4HTR1ASIGMAR1CCR3

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 1/4885DRD2 79/4885

“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.