SCHEMBL466872

SCHEMBL466872

CN(CCCCOc1ccn(-c2ccc(Cl)c(Cl)c2)n1)Cc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 18/20 1.00
ATM Q13315 1/20 0.49
KDM4E B2RXH2 1/20 0.48
KCNH2 Q12809 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
Ammonia Solution, Strong SCHEMBL20608292 0.99 SIGMAR1 (0.98) SIGMAR1ATMKDM4EKCNH2
Oxalic Acid SCHEMBL1899223 0.95 SIGMAR1 (0.91) SIGMAR1ATMKDM4EKCNH2
SCHEMBL467442 0.84 SIGMAR1 (1.00) SIGMAR1KCNH2
SCHEMBL20608293 0.83 SIGMAR1 (0.71) SIGMAR1KCNH2
Oxalic Acid SCHEMBL1896893 0.81 SIGMAR1 (0.88) SIGMAR1ATMKCNH2
SCHEMBL467023 0.80 SIGMAR1 (1.00) SIGMAR1KDM4EKCNH2
SCHEMBL1899226 0.79 SIGMAR1 (0.65) SIGMAR1ATMKCNH2
Oxalic Acid SCHEMBL1896480 0.77 SIGMAR1 (0.88) SIGMAR1KDM4EKCNH2
SCHEMBL466979 0.76 SIGMAR1 (0.88) SIGMAR1KCNH2
Hydrochloric Acid SCHEMBL1903312 0.75 SIGMAR1 (0.86) 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 103 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-20160310500-A1 SEROTONIN-NOREPINEPHRINE REUPTAKE INHIBITORS (SNRIS) AND SIGMA RECEPTOR LIGANDS COMBINATIONS LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2016-10-27 US claimed
EP-3082782-A1 SEROTONIN-NOREPINEPHRINE REUPTAKE INHIBITORS (SNRIs) AND SIGMA RECEPTOR LIGANDS COMBINATIONS Laboratorios Del. Dr. Esteve, S.A. (ES) 2016-10-26 EP claimed
EP-3082790-A1 GABAPENTINOIDS AND SIGMA RECEPTOR LIGANDS COMBINATIONS Laboratorios Del. Dr. Esteve, S.A. (ES) 2016-10-26 EP claimed
US-20160220574-A1 NSAID AND SIGMA RECEPTOR LIGAND COMBINATIONS LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2016-08-04 US claimed
EP-3043795-A1 NSAID AND SIGMA RECEPTOR LIGAND COMBINATIONS Laboratorios Del. Dr. Esteve, S.A. (ES) 2016-07-20 EP 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
EP-3013338-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) 2016-05-04 EP claimed
EP-2460519-A1 Use of sigma ligands in bone cancer pain Laboratorios Del. Dr. Esteve, S.A. (ES) 2012-06-06 EP claimed
WO-2012016980-A2 USE OF SIGMA LIGANDS IN OPIOID-INDUCED HYPERALGESIA LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-02-09 WO claimed
EP-2415471-A1 Use of sigma ligands in opioid-induced hyperalgesia Laboratorios Del. Dr. Esteve, S.A. (ES) 2012-02-08 EP claimed
WO-2011144721-A1 SIGMA LIGANDS FOR THE PREVENTION AND/OR TREATMENT OF EMESIS INDUCED BY CHEMOTHERAPY OR RADIOTHERAPY LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-11-24 WO 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
US-20100190780-A1 SIGMA RECEPTOR INHIBITORS ESTEVE PHARMACEUTICALS, S.A. (ES) 2010-07-29 US 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 (8 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-20160310500-A1 SEROTONIN-NOREPINEPHRINE REUPTAKE INHIBITORS (SNRIS) AND SIGMA RECEPTOR LIGANDS COMBINATIONS SIGMAR1, OPRL1, SLC6A2 SIGMAR1 1/4885ATM 3998/4885KDM4E 4133/4885
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 3/4885ATM 4400/4885KDM4E 4832/4885
US-20160310501-A1 GABAPENTINOIDS AND SIGMA RECEPTOR LIGANDS COMBINATIONS SIGMAR1, OPRL1, OPRM1 SIGMAR1 1/4885ATM 4344/4885KDM4E 4594/4885
US-20080125416-A1 Sigma Receptor Inhibitors SIGMAR1, TMEM97, OPRL1 SIGMAR1 1/4885ATM 4081/4885KDM4E 4559/4885
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 3/4885ATM 4489/4885KDM4E 2955/4885
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 3/4885ATM 4489/4885KDM4E 2955/4885
US-20160220574-A1 NSAID AND SIGMA RECEPTOR LIGAND COMBINATIONS SIGMAR1, OPRL1, OPRK1 SIGMAR1 1/4885ATM 4035/4885KDM4E 4811/4885
US-20100190780-A1 SIGMA RECEPTOR INHIBITORS SIGMAR1, TMEM97, OPRL1 SIGMAR1 1/4885ATM 4081/4885KDM4E 4559/4885

“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.