SCHEMBL954332

SCHEMBL954332

c1ccc(-n2ncc3c2CCCC3CCN2CCOCC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 1.00
TMEM97 Q5BJF2 1/20 1.00
DHODH Q02127 2/20 0.43
NPC1 O15118 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
KDM4E B2RXH2 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HSP90AA1 P07900 1/20 0.40
HTR1A P08908 1/20 0.39

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
SCHEMBL3383254 1.00 SIGMAR1 (1.00) SIGMAR1TMEM97DHODHNPC1ALDH1A1
SCHEMBL3381500 1.00 SIGMAR1 (1.00) SIGMAR1TMEM97DHODHNPC1ALDH1A1
Hydrochloric Acid SCHEMBL1402477 0.99 SIGMAR1 (0.98) SIGMAR1TMEM97DHODHNPC1ALDH1A1
Hydrochloric Acid SCHEMBL1402981 0.99 SIGMAR1 (0.98) SIGMAR1TMEM97DHODHNPC1ALDH1A1
Hydrochloric Acid SCHEMBL1162900 0.99 SIGMAR1 (0.98) SIGMAR1TMEM97DHODHNPC1ALDH1A1
Oxalic Acid SCHEMBL955643 0.95 SIGMAR1 (0.90) SIGMAR1TMEM97DHODHNPC1ALDH1A1
SCHEMBL954295 0.93 SIGMAR1 (0.87) SIGMAR1TMEM97DHODHNPC1ALDH1A1
SCHEMBL953780 0.91 SIGMAR1 (0.83) SIGMAR1TMEM97DHODHNPC1ALDH1A1
SCHEMBL958221 0.91 SIGMAR1 (0.83) SIGMAR1TMEM97DHODHNPC1ALDH1A1
SCHEMBL957538 0.90 SIGMAR1 (0.82) SIGMAR1TMEM97HTR1A

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 43 patents — showing the first 20. 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 claimed
EP-2468728-A1 2-(1-phenyl-4,5,6,7-tetrahydro-1H-indazol-4-YL)ethylamine derivatives useful as sigma receptor inhibitors Laboratorios Del. Dr. Esteve, S.A. (ES) 2012-06-27 EP claimed
EP-1781619-B1 SIGMA RECEPTOR INHIBITORS ESTEVE LABOR DR (ES) 2011-08-17 EP claimed
EP-2292237-A1 Sigma ligands for the prevention or treatment of pain induced by chemotherapy Laboratorios Del. Dr. Esteve, S.A. (ES) 2011-03-09 EP claimed
US-7282499-B2 Sigma receptor inhibitors LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-10-16 US claimed
US-20070232585-A1 Sigma Receptor Inhibitors LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-10-04 US claimed
EP-1781619-A1 SIGMA RECEPTOR INHIBITORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-05-09 EP claimed
EP-1634873-A1 Sigma receptor inhibitors LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-03-15 EP claimed
WO-2006021463-A1 SIGMA RECEPTOR INHIBITORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-03-02 WO claimed
US-20060047127-A1 Sigma receptor inhibitors LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-03-02 US claimed
US-9844516-B2 Sigma ligands for use in the prevention and/or treatment of post-operative pain Laboratorios De Dr. Esteve (ES) 2017-12-19 US disclosed
EP-2531191-B1 Sigma ligands for use in the prevention and/or treatment of postoperative pain ESTEVE LABOR DR (ES) 2016-03-30 EP disclosed
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
US-8394797-B2 Substituted pyrazole sigma receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2013-03-12 US disclosed
EP-1781619-A1 SIGMA RECEPTOR INHIBITORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-05-09 EP disclosed
EP-1634873-A1 Sigma receptor inhibitors LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-03-15 EP disclosed
US-20060047127-A1 Sigma receptor inhibitors LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-03-02 US disclosed
WO-2006021463-A1 SIGMA RECEPTOR INHIBITORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-03-02 WO 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-20070232585-A1 Sigma Receptor Inhibitors SIGMAR1, OPRK1, OPRL1 SIGMAR1 1/4885TMEM97 5/4885DHODH 2700/4885
US-20060047127-A1 Sigma receptor inhibitors SIGMAR1, OPRK1, OPRL1 SIGMAR1 1/4885TMEM97 4/4885DHODH 3191/4885

“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.