SCHEMBL4907314

SCHEMBL4907314

COc1ccc(C(O)c2nccn2CCCO)cc1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.65
CYP2D6 P10635 1/20 0.65
CYP2C19 P33261 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.52
LMNA P02545 1/20 0.51
MAPT P10636 3/20 0.49
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
ATM Q13315 1/20 0.40
FPR2 P25090 1/20 0.38

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
SCHEMBL4908674 0.85 MAPT (0.52) CYP1A2CYP2D6CYP2C19L3MBTL1LMNA
SCHEMBL4908756 0.83 MAPT (0.49) CYP1A2CYP2D6CYP2C19L3MBTL1LMNA
SCHEMBL4907895 0.82 KDM4E (0.59) CYP1A2CYP2D6CYP2C19L3MBTL1LMNA
SCHEMBL4909961 0.79 MAPT (0.48) CYP1A2CYP2D6CYP2C19L3MBTL1LMNA
SCHEMBL11008042 0.78 CYP1A2 (0.50) CYP1A2CYP2D6CYP2C19L3MBTL1LMNA
SCHEMBL4911118 0.77 KMT2A (0.44) CYP1A2CYP2D6CYP2C19L3MBTL1LMNA
SCHEMBL11671087 0.76 L3MBTL1 (0.68) CYP1A2CYP2D6CYP2C19L3MBTL1LMNA
SCHEMBL11669834 0.75 LMNA (0.57) CYP1A2CYP2D6CYP2C19L3MBTL1LMNA
SCHEMBL4899071 0.74 MAPT (0.54) CYP1A2CYP2D6CYP2C19L3MBTL1LMNA
SCHEMBL4910266 0.71 MAPT (0.48) CYP1A2CYP2D6CYP2C19L3MBTL1LMNA

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 43 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
CN-101056631-A Derivatives of aryl (or heteroaryl) azolylcarbinols (in particular cizolirtin citrate) for the treatment of opioid addiction ESTEVE LABOR DR (ES) 2007-10-17 CN claimed
CN-101031291-A Compound containing methanol and composition containing at least one nsaid active substance ESTEVE LABOR DR (ES) 2007-09-05 CN claimed
CN-1976722-A Active substance combination ESTEVE LABOR DR (ES) 2007-06-06 CN 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
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
CN-1151789-C Utilization of aryl (or heteroaryl) azolylcarbinol derivatives in prepn. of medicament for treating troubles mediated by excess of substance P ��˹���IJ�ʿʵ���ҹɷ����޹�˾ 2004-06-02 CN 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 CYP1A2 57/4885CYP2D6 133/4885CYP2C19 70/4885
US-20070088024-A1 Active substance combination comprising a carbinol combined to at least an NSAID PTGS1, PTGS2, PTGES2 CYP1A2 176/4885CYP2D6 404/4885CYP2C19 122/4885
US-20080200693-A1 Derivatives of Aryl (or Heteroaryl) Azolylcarbinols (in Particular Cizolirtin Citrate) for the Treatment of Opioid Addiction CNR2, CNR1, HCRTR2 CYP1A2 69/4885CYP2D6 187/4885CYP2C19 20/4885
US-20050222136-A1 Active substance combination PTGS1, MMP8, TACR1 CYP1A2 237/4885CYP2D6 636/4885CYP2C19 249/4885
US-20060040924-A1 Derivatives of aryl (or heteroaryl) azolylcarbinols for the treatment of renal colic SLC10A2, FABP2, FANCI CYP1A2 165/4885CYP2D6 595/4885CYP2C19 235/4885
US-20070082893-A1 Active substance combination OPRM1, OPRK1, OPRL1 CYP1A2 57/4885CYP2D6 133/4885CYP2C19 70/4885

“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.