SCHEMBL5232155

SCHEMBL5232155

c1csc(CCCN2CCNCC2)c1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.57
TAAR1 Q96RJ0 1/20 0.46
CYP2C19 P33261 1/20 0.46
KDM1A O60341 2/20 0.46
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
HTT P42858 1/20 0.42
HRH3 Q9Y5N1 2/20 0.42
ALDH1A1 P00352 1/20 0.41
SLC6A4 P31645 1/20 0.41

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
SCHEMBL9378269 0.95 SIGMAR1 (0.51) SIGMAR1TAAR1CYP2C19KDM1ACHRM2
SCHEMBL29289301 0.92 SIGMAR1 (0.49) SIGMAR1TAAR1CYP2C19KDM1ACHRM2
SCHEMBL593083 0.90 HRH3 (0.48) SIGMAR1TAAR1CYP2C19KDM1AHTT
SCHEMBL21742732 0.85 SIGMAR1 (0.56) SIGMAR1TAAR1CYP2C19HTTHRH3
SCHEMBL9277454 0.83 SIGMAR1 (0.58) SIGMAR1TAAR1CYP2C19CHRM2CHRM1
SCHEMBL9279277 0.83 SIGMAR1 (0.54) SIGMAR1TAAR1CYP2C19HTTHRH3
SCHEMBL3076824 0.82 CYP2C19 (0.65) SIGMAR1CYP2C19HTTALDH1A1
SCHEMBL2026093 0.80 HTT (0.66) SIGMAR1HTTALDH1A1
SCHEMBL5253198 0.77 CYP2C19 (0.63) SIGMAR1CYP2C19KDM1AHTTALDH1A1
SCHEMBL9210482 0.77 ALDH1A1 (0.45) SIGMAR1CYP2C19KDM1AHTTALDH1A1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1818326-A1 Nitrogen-containing heterocyclic compounds and pharmaceutical composition containing the compounds Eisai R&D Management Co., Ltd. (JP) 2007-08-15 EP disclosed
EP-1818326-A1 Nitrogen-containing heterocyclic compounds and pharmaceutical composition containing the compounds Eisai R&D Management Co., Ltd. (JP) 2007-08-15 EP disclosed
EP-1254895-B1 NITROGENOUS CYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME EISAI R&D MAN CO LTD (JP) 2007-05-23 EP disclosed
EP-1254895-B1 NITROGENOUS CYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME EISAI R&D MAN CO LTD (JP) 2007-05-23 EP disclosed
US-20060084658-A1 Nitrogen-containing cyclic compound and pharmaceutical composition containing the compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-04-20 US disclosed
US-6906072-B1 Piperazine compound and pharmaceutical composition containing the compound EISAI CO., LTD. (JP) 2005-06-14 US disclosed
US-20040220193-A1 Nitrogen-containing cyclic compound and pharmaceutical composition containing the compound EISAI CO., LTD. 2004-11-04 US disclosed
EP-1254895-A1 NITROGENOUS CYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-11-06 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 (2 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-20040220193-A1 Nitrogen-containing cyclic compound and pharmaceutical composition containing the compound CACNA1D, CACNA1B, CACNA1E SIGMAR1 143/4885TAAR1 1238/4885CYP2C19 1991/4885
US-20060084658-A1 Nitrogen-containing cyclic compound and pharmaceutical composition containing the compound CACNA1B, CACNA1E, CACNA1D SIGMAR1 133/4885TAAR1 1302/4885CYP2C19 1085/4885

“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.