SCHEMBL6409845

SCHEMBL6409845

CCCN1CC(CN2CCC(Cc3cc(F)ccc3Cl)CC2)SC1=O

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.37
HTR1A P08908 1/20 0.37
DRD2 P14416 4/20 0.36
CCR5 P51681 3/20 0.35
DPP4 P27487 1/20 0.35
CCR3 P51677 1/20 0.35
P2RX7 Q99572 1/20 0.33
HTR4 Q13639 1/20 0.33

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
SCHEMBL6412125 0.90 CCR3 (0.38) SLC6A4HTR1ADRD2DPP4CCR3
SCHEMBL6413207 0.89 CCR3 (0.37) SLC6A4HTR1ADRD2CCR5CCR3
SCHEMBL6414818 0.89 SLC6A4 (0.44) SLC6A4HTR1ADRD2DPP4
SCHEMBL6413153 0.87 HTR1A (0.53) SLC6A4HTR1ADRD2CCR5CCR3
SCHEMBL6410457 0.86 HTR1A (0.43) SLC6A4HTR1A
SCHEMBL6410354 0.86 ATM (0.43) SLC6A4HTR1ACCR5CCR3
SCHEMBL6418705 0.84 HTR1A (0.44) SLC6A4HTR1ACCR3
SCHEMBL6416736 0.83 CCR3 (0.36) SLC6A4HTR1ADRD2CCR5DPP4
SCHEMBL6417606 0.81 P2RX7 (0.41) SLC6A4HTR1ACCR3P2RX7
SCHEMBL6414678 0.81 CCR3 (0.37) SLC6A4HTR1ADRD2CCR5DPP4

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.