SCHEMBL729173

SCHEMBL729173

Clc1ccc(-n2ccc(OCCOCCBr)n2)cc1Cl

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 20/20 0.68
KCNH2 Q12809 1/20 0.51

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
SCHEMBL17530902 0.86 SIGMAR1 (0.66) SIGMAR1KCNH2
SCHEMBL731151 0.81 SIGMAR1 (0.67) SIGMAR1KCNH2
SCHEMBL728820 0.81 SIGMAR1 (1.00) SIGMAR1KCNH2
SCHEMBL466979 0.80 SIGMAR1 (0.88) SIGMAR1KCNH2
SCHEMBL728818 0.79 SIGMAR1 (0.88) SIGMAR1KCNH2
Hydrochloric Acid SCHEMBL1903312 0.79 SIGMAR1 (0.86) SIGMAR1KCNH2
SCHEMBL5309319 0.78 SIGMAR1 (0.70) SIGMAR1KCNH2
SCHEMBL467023 0.77 SIGMAR1 (1.00) SIGMAR1KCNH2
SCHEMBL31432743 0.76 SIGMAR1 (0.60) SIGMAR1KCNH2
SCHEMBL467006 0.76 SIGMAR1 (1.00) SIGMAR1KCNH2

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-1996580-B1 PYRRAZOLE DERIVATIVES AS SIGMA RECEPTORS ANTAGONISTS ESTEVE LABOR DR (ES) 2016-03-02 EP disclosed
US-8138186-B2 Pyrazole derivatives as sigma receptors antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-03-20 US disclosed
US-8138186-B2 Pyrazole derivatives as sigma receptors antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-03-20 US disclosed
US-8138186-B2 Pyrazole derivatives as sigma receptors antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-03-20 US disclosed
US-20090227589-A1 PYRAZOLE DERIVATIVES AS SIGMA RECEPTORS ANTAGONISTS LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2009-09-10 US disclosed
US-20090227589-A1 PYRAZOLE DERIVATIVES AS SIGMA RECEPTORS ANTAGONISTS LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2009-09-10 US disclosed
US-20090227589-A1 PYRAZOLE DERIVATIVES AS SIGMA RECEPTORS ANTAGONISTS LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2009-09-10 US disclosed
EP-1996580-A2 PYRRAZOLE DERIVATIVES AS SIGMA RECEPTORS ANTAGONISTS Laboratorios del Dr. Esteve S.A. (ES) 2008-12-03 EP disclosed
WO-2007098964-A2 PYRRAZOLE DERIVATIVES AS SIGMA RECEPTORS ANTAGONISTS LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2007-09-07 WO disclosed
WO-2007098964-A2 PYRRAZOLE DERIVATIVES AS SIGMA RECEPTORS ANTAGONISTS LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2007-09-07 WO disclosed
EP-1829873-A1 Pyrrazole derivatives as sigma receptors antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-09-05 EP disclosed
EP-1829873-A1 Pyrrazole derivatives as sigma receptors antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-09-05 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-20090227589-A1 PYRAZOLE DERIVATIVES AS SIGMA RECEPTORS ANTAGONISTS SIGMAR1, TMEM97, P2RX3 SIGMAR1 1/4885KCNH2 1001/4885

“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.