SCHEMBL6413207

SCHEMBL6413207

O=C1SC(CN2CCC(Cc3cc(F)ccc3Cl)CC2)CN1CC1CC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 3/20 0.37
CCR5 P51681 2/20 0.37
MAPK14 Q16539 2/20 0.37
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
HTR1A P08908 1/20 0.35
SLC6A4 P31645 1/20 0.35
HRH1 P35367 2/20 0.34
OPRM1 P35372 1/20 0.34
OPRK1 P41145 1/20 0.34
OPRL1 P41146 1/20 0.34
GRM2 Q14416 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
SCHEMBL6413041 0.90 MEN1 (0.39) CCR3DRD2HTR1ASLC6A4
SCHEMBL6409845 0.89 SLC6A4 (0.37) CCR3CCR5DRD2HTR1ASLC6A4
SCHEMBL6410354 0.88 ATM (0.43) CCR3CCR5SIGMAR1HTR1ASLC6A4
SCHEMBL6413755 0.88 SLC6A4 (0.42) CCR3CCR5DRD2HTR2AHTR2C
SCHEMBL6410448 0.85 HTR1A (0.52) CCR3CCR5HTR1ASLC6A4
SCHEMBL6416736 0.84 CCR3 (0.36) CCR3CCR5MAPK14DRD2HTR1A
SCHEMBL6417429 0.84 HTR1A (0.42) CCR3HTR1ASLC6A4HRH1OPRM1
SCHEMBL6410927 0.83 RAB9A (0.37) CCR3CCR5MAPK14HTR2AHTR2C
SCHEMBL6417606 0.83 P2RX7 (0.41) CCR3HTR2AHTR2CSIGMAR1HTR1A
SCHEMBL6415056 0.83 GRIN1 (0.35) CCR3CCR5DRD2HTR2AHTR2C

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 CCR3 4569/4885CCR5 1463/4885MAPK14 2650/4885

“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.