SCHEMBL6411017

SCHEMBL6411017

O=C1OC(CN2CCC(Cc3cc(Cl)ccc3Cl)CC2)CN1CC1CC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.40
SLC6A4 P31645 2/20 0.38
SIGMAR1 Q99720 2/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
P2RX7 Q99572 1/20 0.36
HTR1A P08908 2/20 0.36
HTR2B P41595 1/20 0.35
FADS1 O60427 1/20 0.35
CNR1 P21554 1/20 0.35

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
SCHEMBL6417310 0.90 CCR3 (0.37) CCR3SLC6A4SIGMAR1HTR1AHTR2B
SCHEMBL6411382 0.90 HTR1A (0.42) SLC6A4SIGMAR1NOS3NOS1NOS2
SCHEMBL6413054 0.89 CCR3 (0.40) CCR3SLC6A4SIGMAR1NOS3NOS1
SCHEMBL6411591 0.88 ALDH1A1 (0.45) CCR3SLC6A4SIGMAR1HTR1AHTR2B
SCHEMBL6412827 0.87 HTR1A (0.52) CCR3SLC6A4SIGMAR1HTR1A
SCHEMBL6414497 0.85 HTR1A (0.44) CCR3SLC6A4SIGMAR1HTR1A
SCHEMBL6411226 0.85 HTR1A (0.45) CCR3SLC6A4SIGMAR1HTR1A
SCHEMBL6411816 0.84 SIGMAR1 (0.52) SIGMAR1
SCHEMBL6417471 0.84 SLC6A4 (0.40) CCR3SLC6A4SIGMAR1NOS3NOS1
SCHEMBL6417021 0.83 HTR2B (0.49) CCR3SLC6A4SIGMAR1NOS3NOS1

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 4569/4885SLC6A4 2/4885SIGMAR1 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.