SCHEMBL467169

SCHEMBL467169

CC(C)c1cc(OCCN2CCCCC2)nn1-c1ccc(Cl)c(Cl)c1

nearest known ligand 0.82

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 19/20 0.82
KCNH2 Q12809 3/20 0.63

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
SCHEMBL466976 1.00 SIGMAR1 (0.82) SIGMAR1KCNH2
Hydrochloric Acid SCHEMBL1894443 0.99 SIGMAR1 (0.81) SIGMAR1KCNH2
SCHEMBL467269 0.94 SIGMAR1 (0.74) SIGMAR1KCNH2
Hydrochloric Acid SCHEMBL1896694 0.94 SIGMAR1 (0.73) SIGMAR1KCNH2
SCHEMBL467114 0.90 SIGMAR1 (1.00) SIGMAR1KCNH2
Hydrochloric Acid SCHEMBL1893866 0.89 SIGMAR1 (0.98) SIGMAR1KCNH2
SCHEMBL20608311 0.89 SIGMAR1 (0.67) SIGMAR1KCNH2
SCHEMBL466940 0.86 SIGMAR1 (1.00) SIGMAR1KCNH2
SCHEMBL467323 0.85 SIGMAR1 (1.00) SIGMAR1KCNH2
Hydrochloric Acid SCHEMBL1897332 0.84 SIGMAR1 (0.98) 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 131 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190010128-A1 1-ARYL-3-AMINOALKOXY PYRAZOLES AS SIGMA LIGANDS ENHANCING ANALGESIC EFFECT OF OPIOIDS AND ATTENUATING THE DEPENDENCY THEREOF LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2019-01-10 US claimed
EP-2600863-B1 USE OF SIGMA LIGANDS IN OPIOID-INDUCED HYPERALGESIA ESTEVE LABOR DR (ES) 2018-03-28 EP claimed
US-20160310501-A1 GABAPENTINOIDS AND SIGMA RECEPTOR LIGANDS COMBINATIONS ESTEVE PHARMACEUTICALS, S.A. (ES) 2016-10-27 US claimed
US-20160220574-A1 NSAID AND SIGMA RECEPTOR LIGAND COMBINATIONS LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2016-08-04 US claimed
US-20160151377-A1 USE OF SIGMA RECEPTOR LIGANDS FOR THE PREVENTION AND TREATMENT OF PAIN ASSOCIATED TO INTERSTITIAL CYSTITIS/BLADDER PAIN SYNDROME (IC/BPS) LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2016-06-02 US claimed
US-20160058771-A1 ALPHA-2 ADRENOCEPTOR AND SIGMA RECEPTOR LIGAND COMBINATIONS LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2016-03-03 US claimed
EP-2571501-B1 SIGMA LIGANDS FOR THE PREVENTION AND/OR TREATMENT OF EMESIS INDUCED BY CHEMOTHERAPY OR RADIOTHERAPY ESTEVE LABOR DR (ES) 2016-03-02 EP claimed
EP-2818166-A1 Use of sigma receptor ligands for the prevention and treatment of pain associated to interstitial cystitis/bladder pain syndrome (IC/BPS) Laboratorios del Dr. Esteve S.A. (ES) 2014-12-31 EP claimed
EP-2276744-B1 1-ARYL-3-AMINOALKOXY PYRAZOLES AS SIGMA LIGANDS ENHANCING ANALGESIC EFFECT OF OPIOIDS AND ATTENUATING THE DEPENDENCY THEREOF ESTEVE LABOR DR (ES) 2014-10-01 EP claimed
US-20140107111-A1 USE OF SIGMA LIGANDS IN DIABETES TYPE-2 ASSOCIATED PAIN LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2014-04-17 US claimed
EP-2388005-A1 Sigma ligands for the prevention and/or treatment of emesis induced by chemotherapy or radiotherapy Laboratorios Del. Dr. Esteve, S.A. (ES) 2011-11-23 EP claimed
WO-2011095585-A1 SIGMA LIGANDS FOR POTENTIATING THE ANALGESIC EFFECT OF OPIOIDS AND OPIATES IN POST-OPERATIVE PAIN AND ATTENUATING THE DEPENDENCY THEREOF LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-08-11 WO claimed
EP-2353591-A1 Sigma ligands for potentiating the analgesic effect of opioids and opiates in post-operative pain and attenuating the dependency thereof Laboratorios Del. Dr. Esteve, S.A. (ES) 2011-08-10 EP claimed
US-20110112095-A1 1-ARYL-3-AMINOALKOXY PYRAZOLES AS SIGMA LIGANDS ENHANCING ANALGESIC EFFECT OF OPIOIDS AND ATTENUATING THE DEPENDENCY THEREOF LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-05-12 US claimed
EP-2276744-A1 1-ARYL-3-AMINOALKOXY PYRAZOLES AS SIGMA LIGANDS ENHANCING ANALGESIC EFFECT OF OPIOIDS AND ATTENUATING THE DEPENDENCY THEREOF Laboratorios Del. Dr. Esteve, S.A. (ES) 2011-01-26 EP claimed
US-20100190781-A1 SIGMA RECEPTOR INHIBITORS ESTEVE PHARMACEUTICALS, S.A. (ES) 2010-07-29 US claimed
US-7696199-B2 Sigma receptor inhibitors LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-04-13 US claimed
EP-2116539-A1 1-aryl-3-aminoalkoxy-pyrazoles as sigma ligands enhancing analgesic effects of opioids and attenuating the dependency thereof Laboratorios Del. Dr. Esteve, S.A. (ES) 2009-11-11 EP claimed
WO-2009130310-A1 1-ARYL-3-AMINOALKOXY PYRAZOLES AS SIGMA LIGANDS ENHANCING ANALGESIC EFFECT OF OPIOIDS AND ATTENUATING THE DEPENDENCY THEREOF LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-10-29 WO claimed
US-20080125416-A1 Sigma Receptor Inhibitors ESTEVE PHARMACEUTICALS, S.A. (ES) 2008-05-29 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 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-20140107111-A1 USE OF SIGMA LIGANDS IN DIABETES TYPE-2 ASSOCIATED PAIN OPRL1, SIGMAR1, OPRK1 SIGMAR1 2/4885KCNH2 1081/4885
US-20160151377-A1 USE OF SIGMA RECEPTOR LIGANDS FOR THE PREVENTION AND TREATMENT OF PAIN ASSOCIATED TO INTERSTITIAL CYSTITIS/BLADDER PAIN SYNDROME (IC/BPS) OPRL1, NPSR1, SIGMAR1 SIGMAR1 3/4885KCNH2 916/4885
US-20160058771-A1 ALPHA-2 ADRENOCEPTOR AND SIGMA RECEPTOR LIGAND COMBINATIONS ADRB2, ADRA2C, ADRA2A SIGMAR1 7/4885KCNH2 947/4885
US-20160310501-A1 GABAPENTINOIDS AND SIGMA RECEPTOR LIGANDS COMBINATIONS SIGMAR1, OPRL1, OPRM1 SIGMAR1 1/4885KCNH2 2068/4885
US-20080125416-A1 Sigma Receptor Inhibitors SIGMAR1, TMEM97, OPRL1 SIGMAR1 1/4885KCNH2 1365/4885
US-20190010128-A1 1-ARYL-3-AMINOALKOXY PYRAZOLES AS SIGMA LIGANDS ENHANCING ANALGESIC EFFECT OF OPIOIDS AND ATTENUATING THE DEPENDENCY THEREOF OPRK1, OPRD1, SIGMAR1 SIGMAR1 3/4885KCNH2 1308/4885
US-20110112095-A1 1-ARYL-3-AMINOALKOXY PYRAZOLES AS SIGMA LIGANDS ENHANCING ANALGESIC EFFECT OF OPIOIDS AND ATTENUATING THE DEPENDENCY THEREOF OPRK1, OPRD1, SIGMAR1 SIGMAR1 3/4885KCNH2 1308/4885
US-20160220574-A1 NSAID AND SIGMA RECEPTOR LIGAND COMBINATIONS SIGMAR1, OPRL1, OPRK1 SIGMAR1 1/4885KCNH2 3492/4885
US-20100190781-A1 SIGMA RECEPTOR INHIBITORS SIGMAR1, TMEM97, OPRL1 SIGMAR1 1/4885KCNH2 1365/4885

“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.