SCHEMBL3594668

SCHEMBL3594668

Clc1ccc(-c2nn(CCCN3CCN(c4ccccc4)CC3)nc2-c2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.57
SIGMAR1 Q99720 3/20 0.57
DRD2 P14416 3/20 0.57
DRD3 P35462 3/20 0.57
HTR2A P28223 2/20 0.57
TMEM97 Q5BJF2 2/20 0.57
KCNH2 Q12809 1/20 0.54
SLC6A2 P23975 2/20 0.53
SLC6A4 P31645 1/20 0.53
DRD4 P21917 3/20 0.52
HTR2C P28335 3/20 0.52
HRH1 P35367 2/20 0.52
HRH2 P25021 1/20 0.52
HRH3 Q9Y5N1 1/20 0.52
HTR7 P34969 3/20 0.51
CACNA1G O43497 1/20 0.51
CYP2D6 P10635 1/20 0.50
SLC6A3 Q01959 1/20 0.49
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49

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
SCHEMBL3594803 0.87 HRH3 (0.51) SIGMAR1KCNH2HRH1HRH3KDM4E
SCHEMBL3604671 0.86 SLC2A2 (0.55) SIGMAR1CYP2D6KDM4EGAA
SCHEMBL3597755 0.85 HRH3 (0.52) SIGMAR1KCNH2HRH1HRH3KDM4E
SCHEMBL3602354 0.83 HRH3 (0.55) KCNH2HRH1HRH3
SCHEMBL3599589 0.82 HRH3 (0.56) KCNH2HRH1HRH3
SCHEMBL3600202 0.80 MEN1 (0.54) HTR1ASIGMAR1DRD2DRD3HTR2A
SCHEMBL3605027 0.79 SLC2A2 (0.58) CYP2D6KDM4EGAA
SCHEMBL3599212 0.77 CYP1A2 (0.54) HTR1ASIGMAR1DRD3KCNH2SLC6A2
SCHEMBL18754269 0.77 KDM4E (0.75) HTR1ASIGMAR1DRD2DRD3HTR2A
SCHEMBL5988317 0.77 KCNH2 (0.88) HTR1ASIGMAR1DRD2DRD3HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2097392-B1 1,2,3-TRIAZOLE DERIVATIVES AS SIGMA RECEPTOR INHIBITORS ESTEVE LABOR DR (ES) 2013-03-13 EP claimed
US-8193223-B2 1,2,3-triazole derivatives as sigma receptor inhibitors LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-06-05 US claimed
US-20100004265-A1 1,2,3-TRIAZOLE DERIVATIVES AS SIGMA RECEPTOR INHIBITORS LABORATORIOS DEL DR. ESTEVE, S.A. 2010-01-07 US claimed
EP-2097392-A1 1,2,3-TRIAZOLE DERIVATIVES AS SIGMA RECEPTOR INHIBITORS Laboratorios Del. Dr. Esteve, S.A. (ES) 2009-09-09 EP claimed
WO-2008055933-A1 1,2,3-TRIAZOLE DERIVATIVES AS SIGMA RECEPTOR INHIBITORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-05-15 WO claimed
EP-1921071-A1 1,2,3- triazole derivatives as sigma receptor inhibitors Laboratorios del Dr. Esteve S.A. (ES) 2008-05-14 EP claimed
EP-2097392-B1 1,2,3-TRIAZOLE DERIVATIVES AS SIGMA RECEPTOR INHIBITORS ESTEVE LABOR DR (ES) 2013-03-13 EP disclosed
US-8193223-B2 1,2,3-triazole derivatives as sigma receptor inhibitors LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-06-05 US disclosed
US-20100004265-A1 1,2,3-TRIAZOLE DERIVATIVES AS SIGMA RECEPTOR INHIBITORS LABORATORIOS DEL DR. ESTEVE, S.A. 2010-01-07 US disclosed
EP-2097392-A1 1,2,3-TRIAZOLE DERIVATIVES AS SIGMA RECEPTOR INHIBITORS Laboratorios Del. Dr. Esteve, S.A. (ES) 2009-09-09 EP disclosed
WO-2008055933-A1 1,2,3-TRIAZOLE DERIVATIVES AS SIGMA RECEPTOR INHIBITORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-05-15 WO disclosed
EP-1921071-A1 1,2,3- triazole derivatives as sigma receptor inhibitors Laboratorios del Dr. Esteve S.A. (ES) 2008-05-14 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-20100004265-A1 1,2,3-TRIAZOLE DERIVATIVES AS SIGMA RECEPTOR INHIBITORS SIGMAR1, OPRK1, OPRD1 HTR1A 19/4885SIGMAR1 1/4885DRD2 104/4885

“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.