SCHEMBL6411768

SCHEMBL6411768

O=C1OCC(CN2CCC(Cc3cc(F)ccc3Cl)CC2)CN1c1ccc(Cl)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.37
SLC6A4 P31645 3/20 0.37
CNR1 P21554 6/20 0.35
CCR3 P51677 2/20 0.35
CCR5 P51681 1/20 0.35
GMNN O75496 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
THPO P40225 1/20 0.35
MTOR P42345 1/20 0.35
BLM P54132 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HRH1 P35367 1/20 0.34
P2RX7 Q99572 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
SCHEMBL6416520 0.93 P2RX7 (0.41) SIGMAR1SLC6A4CCR3CCR5P2RX7
SCHEMBL6410669 0.92 SLC6A4 (0.41) SIGMAR1SLC6A4CNR1CCR3
SCHEMBL6414442 0.91 SLC6A4 (0.41) SIGMAR1SLC6A4CCR3GMNNTP53
SCHEMBL6418146 0.90 CCR3 (0.45) SIGMAR1SLC6A4CCR3CCR5
SCHEMBL6410408 0.87 SLC6A4 (0.42) SIGMAR1SLC6A4CCR3
SCHEMBL6411429 0.86 HTR1A (0.49) SIGMAR1SLC6A4CCR3CCR5
SCHEMBL6419355 0.86 SIGMAR1 (0.49) SIGMAR1
SCHEMBL6411222 0.85 HTR1A (0.44) SIGMAR1SLC6A4CNR1TP53
SCHEMBL6420256 0.84 SLC6A4 (0.45) SIGMAR1SLC6A4
SCHEMBL6417597 0.84 CCR3 (0.39) SIGMAR1CCR3CCR5HRH1

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 SIGMAR1 60/4885SLC6A4 2/4885CNR1 99/4885

“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.