SCHEMBL6412829

SCHEMBL6412829

CCOc1ccc(Cl)c(CC2CCN(CC3CN(c4ccc(Cl)cc4)C(=O)O3)CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 14/20 0.51
GRM2 Q14416 3/20 0.46
TP53 P04637 1/20 0.43
HTR1A P08908 1/20 0.42
CYP2D6 P10635 1/20 0.42
SLC6A4 P31645 1/20 0.42

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
SCHEMBL6414766 0.94 SIGMAR1 (0.56) SIGMAR1GRM2
SCHEMBL6415186 0.93 GRM2 (0.50) SIGMAR1GRM2HTR1ASLC6A4
SCHEMBL6417532 0.91 HTR1A (0.51) SIGMAR1GRM2TP53HTR1ACYP2D6
SCHEMBL6410727 0.91 SIGMAR1 (0.60) SIGMAR1HTR1ASLC6A4
SCHEMBL6411199 0.89 SIGMAR1 (0.51) SIGMAR1GRM2HTR1ACYP2D6SLC6A4
SCHEMBL6411816 0.88 SIGMAR1 (0.52) SIGMAR1GRM2
SCHEMBL6416162 0.88 SIGMAR1 (0.60) SIGMAR1
SCHEMBL6411178 0.87 SIGMAR1 (0.60) SIGMAR1HTR1ASLC6A4
SCHEMBL6411222 0.87 HTR1A (0.44) SIGMAR1TP53HTR1ACYP2D6SLC6A4
SCHEMBL6414497 0.85 HTR1A (0.44) SIGMAR1GRM2HTR1ACYP2D6SLC6A4

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 60/4885GRM2 97/4885TP53 4760/4885

“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.