SCHEMBL6413877

SCHEMBL6413877

COC(=O)N1CCCC(CCN2CCC(Cc3cc(OC)ccc3Br)CC2)C1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 18/20 0.57
SLC6A4 P31645 18/20 0.57
CCR3 P51677 2/20 0.55

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
SCHEMBL6418239 0.95 HTR1A (0.52) HTR1ASLC6A4CCR3
SCHEMBL6411562 0.95 HTR1A (0.56) HTR1ASLC6A4CCR3
SCHEMBL6413813 0.93 HTR1A (0.59) HTR1ASLC6A4CCR3
SCHEMBL6416190 0.92 HTR1A (0.51) HTR1ASLC6A4CCR3
SCHEMBL6416585 0.91 HTR1A (0.57) HTR1ASLC6A4CCR3
SCHEMBL6417225 0.90 HTR1A (0.50) HTR1ASLC6A4CCR3
SCHEMBL6412308 0.90 HTR1A (0.56) HTR1ASLC6A4CCR3
SCHEMBL6410412 0.90 HTR1A (0.56) HTR1ASLC6A4CCR3
SCHEMBL6417405 0.89 HTR1A (0.56) HTR1ASLC6A4CCR3
SCHEMBL6413201 0.89 HTR1A (0.56) HTR1ASLC6A4CCR3

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 HTR1A 1/4885SLC6A4 2/4885CCR3 4569/4885

“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.