SCHEMBL4913193

SCHEMBL4913193

COc1cc(C(OCCN(C)C)c2ccnn2C)cc(OC)c1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.42
SLC6A2 P23975 6/20 0.42
CHRM2 P08172 5/20 0.42
SLC6A3 Q01959 5/20 0.42
CYP2D6 P10635 5/20 0.42
SLC6A4 P31645 4/20 0.42
DRD3 P35462 4/20 0.42
ADRA2A P08913 4/20 0.42
CHRM1 P11229 4/20 0.42
KCNH2 Q12809 4/20 0.42
ADRA2B P18089 4/20 0.42
HRH1 P35367 4/20 0.42
OPRM1 P35372 3/20 0.42
CHRM4 P08173 3/20 0.42
CHRM5 P08912 3/20 0.42
CHRM3 P20309 3/20 0.42
HTR2A P28223 3/20 0.42
HTR2C P28335 3/20 0.42
HTR2B P41595 3/20 0.42
HRH2 P25021 2/20 0.42

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
SCHEMBL4911594 0.85 LMNA (0.37) LMNASLC6A2CHRM2SLC6A3CYP2D6
SCHEMBL5617712 0.83 ALDH1A1 (0.33) LMNASLC6A2DRD3KCNH2TSHR
Cizolirtine SCHEMBL290138 0.81 SLC6A2 (0.65) LMNASLC6A2CHRM2SLC6A3CYP2D6
Cizolirtine SCHEMBL5186750 0.81 SLC6A2 (0.65) LMNASLC6A2CHRM2SLC6A3CYP2D6
Cizolirtine SCHEMBL2776433 0.81 SLC6A2 (0.65) LMNASLC6A2CHRM2SLC6A3CYP2D6
SCHEMBL4902097 0.79 SLC6A2 (0.50) LMNASLC6A2CHRM2SLC6A3CYP2D6
SCHEMBL4909289 0.79 LMNA (0.43) LMNASLC6A2CHRM2SLC6A3CYP2D6
SCHEMBL5431109 0.78 SLC6A2 (0.49) LMNASLC6A2CHRM2SLC6A3CYP2D6
SCHEMBL4907316 0.78 CHRM2 (0.57) LMNASLC6A2CHRM2SLC6A3CYP2D6
SCHEMBL5184053 0.77 SLC6A2 (0.48) LMNASLC6A2CHRM2SLC6A3CYP2D6

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
US-20070088024-A1 Active substance combination comprising a carbinol combined to at least an NSAID LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2007-04-19 US claimed
US-20070082893-A1 Active substance combination LABORATORIOS DEL DR. ESTEVE S.A (ES) 2007-04-12 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-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-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
US-20060040924-A1 Derivatives of aryl (or heteroaryl) azolylcarbinols for the treatment of renal colic LABORATORIOS DR. ESTEVE S.A. (ES) 2006-02-23 US claimed
EP-1584335-A2 Active substance combination comprising a carbinol composition and an opioid LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2005-10-12 EP claimed
US-20050222136-A1 Active substance combination LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2005-10-06 US claimed
US-20050222135-A1 Active substance combination LABORATIONS DEL DR. ESTEVE S.A. (ES) 2005-10-06 US claimed
EP-1103243-B1 UTILIZATION OF ARYL(OR HETEROARYL)AZOLYLCARBINOL DERIVATIVES FOR THE TREATMENT OF TROUBLES MEDIATED BY AN EXCESS OF SUBSTANCE P ESTEVE LABOR DR (ES) 2004-01-07 EP claimed
EP-1103243-A2 UTILIZATION OF ARYL(OR HETEROARYL)AZOLYLCARBINOL DERIVATIVES IN THE PREPARATION OF A MEDICAMENT FOR THE TREATMENT OF TROUBLES MEDIATED BY AN EXCESS OF SUBSTANCE P LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2001-05-30 EP claimed
EP-0289380-B1 Aryl-heteroaryl-carbinol derivatives having an analgesic activity ESTEVE LABOR DR (ES) 1994-12-28 EP claimed
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 disclosed
EP-1397364-A1 NOVEL PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS ELI LILLY AND COMPANY (US) 2004-03-17 EP disclosed
WO-2002094833-A1 NOVEL PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS ELI LILLY AND COMPANY (US) 2002-11-28 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 (6 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-20050222135-A1 Active substance combination OPRM1, OPRK1, OPRL1 LMNA 3318/4885SLC6A2 140/4885CHRM2 677/4885
US-20070088024-A1 Active substance combination comprising a carbinol combined to at least an NSAID PTGS1, PTGS2, PTGES2 LMNA 2572/4885SLC6A2 1741/4885CHRM2 2497/4885
US-20080200693-A1 Derivatives of Aryl (or Heteroaryl) Azolylcarbinols (in Particular Cizolirtin Citrate) for the Treatment of Opioid Addiction CNR2, CNR1, HCRTR2 LMNA 4815/4885SLC6A2 299/4885CHRM2 571/4885
US-20050222136-A1 Active substance combination PTGS1, MMP8, TACR1 LMNA 2826/4885SLC6A2 690/4885CHRM2 1927/4885
US-20060040924-A1 Derivatives of aryl (or heteroaryl) azolylcarbinols for the treatment of renal colic SLC10A2, FABP2, FANCI LMNA 1773/4885SLC6A2 1644/4885CHRM2 4475/4885
US-20070082893-A1 Active substance combination OPRM1, OPRK1, OPRL1 LMNA 3318/4885SLC6A2 140/4885CHRM2 677/4885

“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.