SCHEMBL6413030

SCHEMBL6413030

COc1ccc(Br)c(CC2CCN(CCCC3CCN(C(=O)CO)CC3)CC2)c1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 18/20 0.59
SLC6A4 P31645 18/20 0.59
RYR2 Q92736 1/20 0.44

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
SCHEMBL6413913 0.94 HTR1A (0.52) HTR1ASLC6A4RYR2
SCHEMBL6410837 0.93 HTR1A (0.58) HTR1ASLC6A4
SCHEMBL6411130 0.92 HTR1A (0.59) HTR1ASLC6A4
SCHEMBL6411034 0.91 HTR1A (0.62) HTR1ASLC6A4
SCHEMBL6414712 0.91 HTR1A (0.54) HTR1ASLC6A4
SCHEMBL6409804 0.90 SLC6A4 (0.61) HTR1ASLC6A4
SCHEMBL6410935 0.90 HTR1A (0.55) HTR1ASLC6A4RYR2
SCHEMBL6420414 0.89 HTR1A (0.60) HTR1ASLC6A4
SCHEMBL6418110 0.88 HTR1A (0.52) HTR1ASLC6A4
SCHEMBL6418127 0.88 HTR1A (0.58) HTR1ASLC6A4

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 2/4885RYR2 2551/4885

“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.