SCHEMBL4908281

SCHEMBL4908281

CCCCn1ccnc1C(O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.57
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 2/20 0.45
FPR2 P25090 6/20 0.44
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALDH1A1 P00352 2/20 0.42
POLB P06746 1/20 0.42
KDM4E B2RXH2 1/20 0.42
NR3C1 P04150 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL4899071 0.83 MAPT (0.54) MAPTL3MBTL1LMNAKMT2ACYP1A2
SCHEMBL27678492 0.83 MAPT (0.54) MAPTL3MBTL1LMNAKMT2ACYP1A2
SCHEMBL4906765 0.80 KDM4E (0.65) MAPTL3MBTL1LMNAFPR2KMT2A
Butyl Chloride SCHEMBL27485209 0.79 KDM4E (0.56) MAPTL3MBTL1LMNAKMT2ACYP1A2
SCHEMBL4907362 0.78 MAPT (0.40) MAPTLMNAFPR2KMT2ACYP1A2
SCHEMBL4912548 0.78 MAPT (0.48) MAPTL3MBTL1LMNAKMT2ACYP1A2
SCHEMBL4906658 0.77 MAPT (0.38) MAPTLMNAFPR2KMT2ACYP1A2
SCHEMBL27468002 0.77 KDM4E (0.53) MAPTL3MBTL1LMNAKMT2ACYP1A2
SCHEMBL5656484 0.75 MAPT (0.57) MAPTL3MBTL1LMNAKMT2ACYP1A2
SCHEMBL11669834 0.74 LMNA (0.57) MAPTL3MBTL1LMNAKMT2ACYP1A2

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 42 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-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-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-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
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
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
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
CN-1317966-A Use of derivatives of aryl (or heteroaryl) pyrrolylcarbinol for the manufacture of a medicament for the treatment of diseases mediated by an excess of substance P ESTEVE LABOR DR (ES) 2001-10-17 CN 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 MAPT 2598/4885L3MBTL1 4627/4885LMNA 3318/4885
US-20070088024-A1 Active substance combination comprising a carbinol combined to at least an NSAID PTGS1, PTGS2, PTGES2 MAPT 3540/4885L3MBTL1 4698/4885LMNA 2572/4885
US-20080200693-A1 Derivatives of Aryl (or Heteroaryl) Azolylcarbinols (in Particular Cizolirtin Citrate) for the Treatment of Opioid Addiction CNR2, CNR1, HCRTR2 MAPT 2120/4885L3MBTL1 4104/4885LMNA 4815/4885
US-20050222136-A1 Active substance combination PTGS1, MMP8, TACR1 MAPT 3182/4885L3MBTL1 4845/4885LMNA 2826/4885
US-20060040924-A1 Derivatives of aryl (or heteroaryl) azolylcarbinols for the treatment of renal colic SLC10A2, FABP2, FANCI MAPT 4495/4885L3MBTL1 4050/4885LMNA 1773/4885
US-20070082893-A1 Active substance combination OPRM1, OPRK1, OPRL1 MAPT 2598/4885L3MBTL1 4627/4885LMNA 3318/4885

“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.