SCHEMBL4907911

SCHEMBL4907911

Cn1ccnc1C(C)(O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
CASR P41180 1/20 0.42
MCL1 Q07820 1/20 0.38
KCNH2 Q12809 1/20 0.38
RORC P51449 1/20 0.37
TSHR P16473 2/20 0.37
MEN1 O00255 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
CYP19A1 P11511 1/20 0.35
HTT P42858 1/20 0.34
TNK2 Q07912 2/20 0.34
PRMT5 O14744 2/20 0.33
WDR77 Q9BQA1 2/20 0.33
PKM P14618 1/20 0.33
MAPK1 P28482 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL4905689 0.83 KMT2A (0.53) KMT2ACASRKCNH2RORCTSHR
SCHEMBL4909063 0.81 KMT2A (0.54) KMT2AKCNH2RORCMEN1CYP19A1
SCHEMBL4907872 0.78 KMT2A (0.41) KMT2AMCL1KCNH2RORCMEN1
SCHEMBL4911111 0.77 KMT2A (0.51) KMT2AMCL1RORCTSHRMEN1
SCHEMBL4908613 0.77 KMT2A (0.51) KMT2ARORCTSHRMEN1CYP19A1
SCHEMBL8415398 0.77 KMT2A (0.56) KMT2ARORCTSHRMEN1HTT
SCHEMBL4910736 0.77 KMT2A (0.40) KMT2AMCL1KCNH2RORCTSHR
SCHEMBL5705666 0.75 KMT2A (0.43) KMT2ACASRTSHRCYP19A1PKM
SCHEMBL29605983 0.75 KMT2A (0.54) KMT2ARORCTSHRMEN1PKM
SCHEMBL4906648 0.75 KMT2A (0.54) KMT2AMCL1TSHRMEN1PKM

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 35 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
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-1755678-A2 ACTIVE SUBSTANCE COMBINATION OF A CARBINOL COMPOUND AND AN OPIOID LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-02-28 EP claimed
EP-1746986-A1 ACTIVE SUBSTANCE COMBINATION COMPRISING A CARBINOL COMBINED TO AT LEAST AN NSAID LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-01-31 EP claimed
WO-2005097192-A9 ACTIVE SUBSTANCE COMBINATION OF A CARBINOL COMPOUND AND AN OPIOID ESTEVE LABOR DR (ES) 2007-01-18 WO 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
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
WO-2005097192-A2 ACTIVE SUBSTANCE COMBINATION OF A CARBINOL COMPOUND AND AN OPIOID LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2005-10-20 WO claimed
WO-2005097099-A1 ACTIVE SUBSTANCE COMBINATION COMPRISING A CARBINOL COMBINED TO AT LEAST AN NSAID LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2005-10-20 WO 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

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 KMT2A 1439/4885CASR 3822/4885MCL1 3820/4885
US-20070088024-A1 Active substance combination comprising a carbinol combined to at least an NSAID PTGS1, PTGS2, PTGES2 KMT2A 3087/4885CASR 3757/4885MCL1 2734/4885
US-20080200693-A1 Derivatives of Aryl (or Heteroaryl) Azolylcarbinols (in Particular Cizolirtin Citrate) for the Treatment of Opioid Addiction CNR2, CNR1, HCRTR2 KMT2A 1689/4885CASR 1765/4885MCL1 4171/4885
US-20050222136-A1 Active substance combination PTGS1, MMP8, TACR1 KMT2A 2783/4885CASR 3146/4885MCL1 4138/4885
US-20060040924-A1 Derivatives of aryl (or heteroaryl) azolylcarbinols for the treatment of renal colic SLC10A2, FABP2, FANCI KMT2A 2641/4885CASR 2276/4885MCL1 2262/4885
US-20070082893-A1 Active substance combination OPRM1, OPRK1, OPRL1 KMT2A 1439/4885CASR 3822/4885MCL1 3820/4885

“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.