SCHEMBL6411409

SCHEMBL6411409

CCN(CC)CCC(=O)N1CCCC(CCCN2CCC(Cc3cc(OC)ccc3Br)CC2)C1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 18/20 0.49
SLC6A4 P31645 18/20 0.49
CCR3 P51677 1/20 0.43
RYR2 Q92736 1/20 0.40

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
SCHEMBL6419378 0.95 HTR1A (0.51) HTR1ASLC6A4CCR3
SCHEMBL6410717 0.91 HTR1A (0.53) HTR1ASLC6A4
SCHEMBL6412750 0.89 HTR1A (0.55) HTR1ASLC6A4CCR3
Hydrochloric Acid SCHEMBL6411102 0.89 HTR1A (0.54) HTR1ASLC6A4CCR3
SCHEMBL6410935 0.88 HTR1A (0.55) HTR1ASLC6A4CCR3RYR2
SCHEMBL6411775 0.87 HTR1A (0.54) HTR1ASLC6A4CCR3
SCHEMBL6413296 0.87 HTR1A (0.57) HTR1ASLC6A4CCR3
SCHEMBL6411185 0.86 HTR1A (0.55) HTR1ASLC6A4
SCHEMBL6420128 0.86 HTR1A (0.55) HTR1ASLC6A4
SCHEMBL6411751 0.85 HTR1A (0.49) 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.