SCHEMBL3605027

SCHEMBL3605027

Clc1ccc(-c2nn(CCN3CCOCC3)nc2-c2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A2 P11168 1/20 0.58
SLC2A1 P11166 6/20 0.54
KDM5B Q9UGL1 2/20 0.54
GAA P10253 2/20 0.51
KDM4E B2RXH2 2/20 0.51
MAPT P10636 2/20 0.50
MAPK1 P28482 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TSHR P16473 1/20 0.50
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
HTT P42858 1/20 0.47
TRPA1 O75762 1/20 0.46
TRPM8 Q7Z2W7 1/20 0.46

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
SCHEMBL3604671 0.93 SLC2A2 (0.55) SLC2A2SLC2A1KDM5BGAAKDM4E
SCHEMBL3599212 0.87 CYP1A2 (0.54) SLC2A2SLC2A1KDM5BKDM4EMAPT
SCHEMBL3594803 0.80 HRH3 (0.51) SLC2A1KDM4EMEN1KMT2A
SCHEMBL3597755 0.79 HRH3 (0.52) SLC2A1KDM4EMEN1KMT2A
SCHEMBL3602354 0.79 HRH3 (0.55) SLC2A1MEN1KMT2A
SCHEMBL3594668 0.79 HTR1A (0.57) GAAKDM4ECYP2D6
SCHEMBL3599589 0.78 HRH3 (0.56)
SCHEMBL5049609 0.75 CNR1 (0.50) SLC2A2KDM5BGAAKMT2ACYP3A4
Hydrochloric Acid SCHEMBL11832566 0.75 MAPT (0.52) SLC2A2KDM5BGAAKDM4EMAPT
SCHEMBL17719102 0.74 SLC2A2 (1.00) SLC2A2SLC2A1KDM4EHTT

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 10 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-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 SLC2A2 4439/4885SLC2A1 4184/4885KDM5B 4728/4885

“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.