SCHEMBL8274346

SCHEMBL8274346

C[C@@H]1CN(C/C=C2\CCCc3c2cnn3-c2ccc(Cl)c(Cl)c2)C[C@H](C)O1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.43
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
KCNH2 Q12809 2/20 0.34
HRH3 Q9Y5N1 1/20 0.34
HTT P42858 2/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
PDE1B Q01064 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 2/20 0.32
GRM2 Q14416 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GAA P10253 1/20 0.32
CYP2A13 Q16696 1/20 0.32

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
SCHEMBL955175 1.00 SIGMAR1 (0.43) SIGMAR1MEN1KMT2AKDM4ETDP1
SCHEMBL957553 0.86 POLB (0.44) SIGMAR1MEN1KMT2AKCNH2HTT
SCHEMBL957552 0.86 POLB (0.44) SIGMAR1MEN1KMT2AKCNH2HTT
SCHEMBL957550 0.86 POLB (0.44) SIGMAR1MEN1KMT2AKCNH2HTT
SCHEMBL954054 0.85 SIGMAR1 (0.38) SIGMAR1MEN1KMT2AKDM4EHTT
SCHEMBL954059 0.85 SIGMAR1 (0.38) SIGMAR1MEN1KMT2AKDM4EHTT
SCHEMBL954056 0.85 SIGMAR1 (0.38) SIGMAR1MEN1KMT2AKDM4EHTT
SCHEMBL954058 0.85 SIGMAR1 (0.38) SIGMAR1MEN1KMT2AKDM4EHTT
SCHEMBL958311 0.84 SIGMAR1 (0.41) SIGMAR1MEN1KMT2AKCNH2HTT
SCHEMBL8272456 0.84 SIGMAR1 (0.41) SIGMAR1MEN1KMT2AKCNH2HTT

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
US-8394797-B2 Substituted pyrazole sigma receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2013-03-12 US disclosed
US-8394797-B2 Substituted pyrazole sigma receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2013-03-12 US disclosed
EP-1781619-B1 SIGMA RECEPTOR INHIBITORS ESTEVE LABOR DR (ES) 2011-08-17 EP disclosed
US-20110015183-A1 SUBSTITUTED PYRAZOLE SIGMA RECEPTOR ANTAGONISTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-01-20 US disclosed
US-20110015183-A1 SUBSTITUTED PYRAZOLE SIGMA RECEPTOR ANTAGONISTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-01-20 US disclosed
US-7829559-B2 Substituted pyrazole sigma receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-11-09 US disclosed
US-7829559-B2 Substituted pyrazole sigma receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-11-09 US disclosed
US-20070232585-A1 Sigma Receptor Inhibitors LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-10-04 US disclosed
US-20070232585-A1 Sigma Receptor Inhibitors LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-10-04 US disclosed
WO-2006021463-A1 SIGMA RECEPTOR INHIBITORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-03-02 WO 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-20110015183-A1 SUBSTITUTED PYRAZOLE SIGMA RECEPTOR ANTAGONISTS SIGMAR1, OPRK1, OPRD1 SIGMAR1 1/4885MEN1 4727/4885KMT2A 4297/4885
US-20070232585-A1 Sigma Receptor Inhibitors SIGMAR1, OPRK1, OPRL1 SIGMAR1 1/4885MEN1 4696/4885KMT2A 4421/4885

“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.