SCHEMBL99404

SCHEMBL99404

Cc1cc(OCCN2CCOCC2)nn1-c1ccc2ccccc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 20/20 1.00
HTR2B P41595 1/20 1.00
KCNH2 Q12809 2/20 0.72

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
SCHEMBL29371513 1.00 SIGMAR1 (1.00) SIGMAR1HTR2BKCNH2
Hydrochloric Acid SCHEMBL99116 0.99 SIGMAR1 (0.98) SIGMAR1HTR2BKCNH2
SCHEMBL467349 0.90 SIGMAR1 (1.00) SIGMAR1HTR2BKCNH2
SCHEMBL1135405 0.90 SIGMAR1 (0.81) SIGMAR1HTR2BKCNH2
SCHEMBL1135681 0.89 SIGMAR1 (0.81) SIGMAR1HTR2BKCNH2
SCHEMBL1135658 0.89 SIGMAR1 (0.81) SIGMAR1HTR2BKCNH2
Hydrochloric Acid SCHEMBL1894793 0.89 SIGMAR1 (0.98) SIGMAR1HTR2BKCNH2
SCHEMBL467090 0.89 SIGMAR1 (1.00) SIGMAR1HTR2BKCNH2
Hydrochloric Acid SCHEMBL29557756 0.89 SIGMAR1 (0.98) SIGMAR1HTR2BKCNH2
Hydrochloric Acid SCHEMBL1136301 0.89 SIGMAR1 (0.80) SIGMAR1HTR2BKCNH2

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 367 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3463339-B1 USE OF SIGMA RECEPTOR LIGANDS IN CANCER ESTEVE PHARMACEUTICALS SA (ES) 2023-12-06 EP claimed
CN-109310672-B Use of sigma receptor ligands in cancer 埃斯特韦制药有限公司 2022-05-03 CN claimed
CN-105873580-B Compositions of gabapentin-like compounds and sigma receptor ligands 埃斯蒂维制药有限公司 2020-08-25 CN claimed
US-20190142840-A1 USE OF SIGMA RECEPTOR LIGANDS IN CANCER ESTEVE PHARMACEUTICALS, S.A. (ES) 2019-05-16 US claimed
WO-2019068771-A1 USE OF SIGMA RECEPTOR LIGANDS IN AGE-RELATED COGNITIVE IMPAIRMENTS ESTEVE PHARMACEUTICALS, S.A. (ES) 2019-04-11 WO claimed
EP-3463339-A1 USE OF SIGMA RECEPTOR LIGANDS IN CANCER ESTEVE PHARMACEUTICALS, S.A. (ES) 2019-04-10 EP claimed
US-RE47214-E1 4-[-2-[[5-methyl-1-(2-naphtalenyl)-1H-pyrazol-3-yl]oxy]ethyl]morpholine hydrochloride polymorphs and solvates LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2019-01-29 US claimed
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-3328365-A1 USE OF SIGMA RECEPTOR LIGANDS IN DYSLIPIDEMIA Laboratorios Del. Dr. Esteve, S.A. (ES) 2018-06-06 EP claimed
US-9931346-B2 Serotonin-norepinephrine reuptake inhibitors (SNRIs) and Sigma receptor ligands combinations LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2018-04-03 US claimed
WO-2011064296-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING SIGMA RECEPTOR LIGANDS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-06-03 WO claimed
WO-2011064315-A1 4-[2-[[5-METHYL-1-(2-NAPHTALENYL)-1H-PYRAZOL-3-YL]OXY]ETHYL]MORPHOLINE SALTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-06-03 WO 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-2292236-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
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 (5 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-20190142840-A1 USE OF SIGMA RECEPTOR LIGANDS IN CANCER SIGMAR1, TMEM97, OPRL1 SIGMAR1 1/4885HTR2B 75/4885KCNH2 3544/4885
US-20080125416-A1 Sigma Receptor Inhibitors SIGMAR1, TMEM97, OPRL1 SIGMAR1 1/4885HTR2B 40/4885KCNH2 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 3/4885HTR2B 104/4885KCNH2 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 3/4885HTR2B 104/4885KCNH2 1308/4885
US-20100190781-A1 SIGMA RECEPTOR INHIBITORS SIGMAR1, TMEM97, OPRL1 SIGMAR1 1/4885HTR2B 40/4885KCNH2 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.