SCHEMBL4905488

SCHEMBL4905488

CCCCn1nccc1C(O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
NR1H3 Q13133 1/20 0.39
TSHR P16473 2/20 0.39
SLC9A1 P19634 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 3/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NAAA Q02083 1/20 0.35
MPO P05164 1/20 0.35

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
SCHEMBL5616327 0.81 NR1H3 (0.37) NR1H3TSHRSLC9A1ALDH1A1POLB
SCHEMBL4909294 0.79 SMN1; SMN2 (0.43) TSHRALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL3319960 0.77 MAPK1 (0.34) NR1H3TSHRSLC9A1ALDH1A1POLB
SCHEMBL16815763 0.76 SLC9A1 (0.37) SLC9A1SMN1; SMN2MPO
SCHEMBL16816443 0.76 SLC9A1 (0.37) SLC9A1SMN1; SMN2MPO
SCHEMBL16815888 0.76 SLC9A1 (0.37) SLC9A1SMN1; SMN2MPO
SCHEMBL7590836 0.75 KDM4E (0.50) KDM4ETSHRNPSR1ALDH1A1POLB
SCHEMBL7589137 0.75 KDM4E (0.50) KDM4ETSHRNPSR1ALDH1A1POLB
SCHEMBL2788882 0.75 KDM4E (0.50) KDM4ETSHRNPSR1ALDH1A1POLB
SCHEMBL4909149 0.74 SLC6A2 (0.48) KDM4ETSHRNPSR1ALDH1A1HTT

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 54 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
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
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
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
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
US-5017596-A Arylpyrazolylcarbinol compounds with analgesic activity LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 1991-05-21 US 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 (5 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 KDM4E 3212/4885NR1H3 1254/4885TSHR 4174/4885
US-20070088024-A1 Active substance combination comprising a carbinol combined to at least an NSAID PTGS1, PTGS2, PTGES2 KDM4E 4024/4885NR1H3 2079/4885TSHR 4789/4885
US-20080200693-A1 Derivatives of Aryl (or Heteroaryl) Azolylcarbinols (in Particular Cizolirtin Citrate) for the Treatment of Opioid Addiction CNR2, CNR1, HCRTR2 KDM4E 3327/4885NR1H3 30/4885TSHR 594/4885
US-20050222136-A1 Active substance combination PTGS1, MMP8, TACR1 KDM4E 4179/4885NR1H3 2190/4885TSHR 4504/4885
US-20070082893-A1 Active substance combination OPRM1, OPRK1, OPRL1 KDM4E 3212/4885NR1H3 1254/4885TSHR 4174/4885

“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.