SCHEMBL4900306

SCHEMBL4900306

Cn1nccc1C(OCCN)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.44
HTT P42858 2/20 0.41
SCN1A P35498 3/20 0.41
SCN2A Q99250 3/20 0.41
SCN3A Q9NY46 3/20 0.41
LMNA P02545 2/20 0.41
CYP1A2 P05177 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
ADRA2A P08913 1/20 0.41
CYP2D6 P10635 1/20 0.41
CHRM1 P11229 1/20 0.41
TSHR P16473 1/20 0.41
ADRA2B P18089 1/20 0.41
CHRM3 P20309 1/20 0.41
SLC6A2 P23975 1/20 0.41
HRH2 P25021 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41

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
SCHEMBL3801806 0.85 SIGMAR1 (0.41) SIGMAR1HTTSCN1ASCN2ASCN3A
SCHEMBL19471222 0.85 SIGMAR1 (0.42) SIGMAR1HTTSCN1ASCN2ASCN3A
SCHEMBL4905532 0.84 SIGMAR1 (0.49) SIGMAR1HTTSCN1ASCN2ASCN3A
SCHEMBL5184742 0.84 SIGMAR1 (0.49) SIGMAR1HTTSCN1ASCN2ASCN3A
SCHEMBL5183470 0.84 SIGMAR1 (0.49) SIGMAR1HTTSCN1ASCN2ASCN3A
Cizolirtine SCHEMBL2776433 0.83 SLC6A2 (0.65) SIGMAR1HTTSCN1ASCN2ASCN3A
Cizolirtine SCHEMBL290138 0.83 SLC6A2 (0.65) SIGMAR1HTTSCN1ASCN2ASCN3A
SCHEMBL17847999 0.83 LMNA (0.47) SIGMAR1HTTSCN1ASCN2ASCN3A
Hydrochloric Acid SCHEMBL5186556 0.83 HTT (0.49) SIGMAR1HTTSCN1ASCN2ASCN3A
Hydrochloric Acid SCHEMBL5186565 0.83 HTT (0.49) SIGMAR1HTTSCN1ASCN2ASCN3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080200693-A1 Derivatives of Aryl (or Heteroaryl) Azolylcarbinols (in Particular Cizolirtin Citrate) for the Treatment of Opioid Addiction LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2008-08-21 US claimed
EP-1786419-A1 DERIVATIVES OF ARYL (OR HETEROARYL) AZOLYLCARBINOLS (IN PARTICULAR CIZOLIRTIN CITRATE) FOR THE TREATMENT OF OPIOID ADDICTION Laboratorios del Dr. Esteve S.A. (ES) 2007-05-23 EP claimed
EP-1786420-A1 DERIVATIVES OF ARYL (OR HETEROARYL) AZOLYLCARBINOLS FOR THE TREATMENT OF CENTRAL NEUROPATHIC PAIN Laboratorios del Dr. Esteve S.A. (ES) 2007-05-23 EP claimed
EP-1784178-A1 ARYL (OR HETEROARYL) AZOLYLCARBINOLS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-05-16 EP claimed
US-20060194860-A1 Pharmaceutical compositions containing aryl or heteroaryl azolylcarbinol compounds GRUENENTHAL GMBH (DE) 2006-08-31 US claimed
EP-1695704-A1 Derivatives of aryl (or heteroaryl) azolylcarbinols for the treatment of fibromyalgia LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-08-30 EP claimed
WO-2006087147-A2 DERIVATIVES OF ARYL (OR HETEROARYL) AZOLYLCARBINOLS FOR THE TREATMENT OF FIBROMYALGIA LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-08-24 WO claimed
EP-1690537-A1 Derivatives of aryl(or heteroaryl) azolycarbinols for the treatment of fibromyalgia LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-08-16 EP claimed
EP-1648450-A1 MEDICAMENTS CONTAINING DERIVATIVES OF ARYL (OR HETEROARYL) AZOLYLCARBINOLS Grünenthal GmbH (DE) 2006-04-26 EP claimed
EP-1642577-A1 Derivatives of aryl (or heteroaryl) azolylcarbinols for the treatment of central neuropathic pain Laboratorios del Dr. Esteve S.A. (ES) 2006-04-05 EP claimed
WO-2006027226-A1 DERIVATIVES OF ARYL(OR HETEROARYL) AZOLYLCARBINOLS FOR THE TREATMENT OF CENTRAL NEUROPATHIC PAIN LABORATORIOS DEL DR. ESTEVE S.A. (DE) 2006-03-16 WO claimed
WO-2006027221-A1 DERIVATIVES OF ARYL (OR HETEROARYL) AZOLYLCARBINOLS (IN PARTICULAR CIZOLIRTIN CITRATE) FOR THE TREATMENT OF OPIOID ADDICTION LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2006-03-16 WO claimed
EP-1632227-A1 Derivatives of aryl (or heteroaryl) azolylcarbinols (in particular cizolirtin citrate) for the treatment of opioid addiction Laboratorios del Dr. Esteve S.A. (ES) 2006-03-08 EP claimed
WO-2006010627-A1 ARYL (OR HETEROARYL) AZOLYLCARBINOLS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-02-02 WO claimed
WO-2005011684-A1 MEDICAMENTS CONTAINING DERIVATIVES OF ARYL (OR HETEROARYL) AZOLYLCARBINOLS Grünenthal GmbH (DE) 2005-02-10 WO claimed
EP-3233805-B1 METHYL-1H-PYRAZOLE-ALKYLAMINE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS SA (ES) 2019-02-06 EP disclosed
EP-3233805-B1 METHYL-1H-PYRAZOLE-ALKYLAMINE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS SA (ES) 2019-02-06 EP disclosed
EP-1632227-A1 Derivatives of aryl (or heteroaryl) azolylcarbinols (in particular cizolirtin citrate) for the treatment of opioid addiction Laboratorios del Dr. Esteve S.A. (ES) 2006-03-08 EP disclosed
WO-2006010627-A1 ARYL (OR HETEROARYL) AZOLYLCARBINOLS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-02-02 WO disclosed
WO-2005011684-A1 MEDICAMENTS CONTAINING DERIVATIVES OF ARYL (OR HETEROARYL) AZOLYLCARBINOLS Grünenthal GmbH (DE) 2005-02-10 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-20060194860-A1 Pharmaceutical compositions containing aryl or heteroaryl azolylcarbinol compounds CNR2, CNR1, CYP1B1 SIGMAR1 517/4885HTT 597/4885SCN1A 590/4885
US-20080200693-A1 Derivatives of Aryl (or Heteroaryl) Azolylcarbinols (in Particular Cizolirtin Citrate) for the Treatment of Opioid Addiction CNR2, CNR1, HCRTR2 SIGMAR1 162/4885HTT 1705/4885SCN1A 2164/4885

“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.