SCHEMBL6418256

SCHEMBL6418256

COc1ccc(N2CC(CN3CCC(Cc4cc(OC(C)OC)ccc4Br)C3)OC2=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 17/20 0.51
HTR1A P08908 3/20 0.47
SLC6A4 P31645 3/20 0.47

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
SCHEMBL6417831 0.94 SIGMAR1 (0.47) SIGMAR1HTR1ASLC6A4
SCHEMBL6410765 0.93 HTR1A (0.46) SIGMAR1HTR1ASLC6A4
SCHEMBL6417965 0.93 HTR1A (0.47) SIGMAR1HTR1ASLC6A4
SCHEMBL6418373 0.92 SIGMAR1 (0.56) SIGMAR1HTR1ASLC6A4
SCHEMBL6416473 0.90 SIGMAR1 (0.55) SIGMAR1HTR1ASLC6A4
SCHEMBL6417633 0.88 SIGMAR1 (0.60) SIGMAR1HTR1ASLC6A4
SCHEMBL6411780 0.87 HTR1A (0.55) SIGMAR1HTR1ASLC6A4
SCHEMBL6410074 0.87 HTR1A (0.54) SIGMAR1HTR1ASLC6A4
Hydrochloric Acid SCHEMBL6410898 0.87 SIGMAR1 (0.59) SIGMAR1HTR1ASLC6A4
SCHEMBL6418257 0.87 SIGMAR1 (0.51) SIGMAR1HTR1ASLC6A4

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 60/4885HTR1A 1/4885SLC6A4 2/4885

“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.