SCHEMBL972858

SCHEMBL972858

COc1ccc2c(c1)CSCC2=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ METAP1 P53582 4/20 0.50
▸ KDM4E B2RXH2 4/20 0.47
▸ HTT P42858 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.45
▸ MAOB P27338 1/20 0.42
▸ PRNP P04156 1/20 0.42
▸ CYP19A1 P11511 1/20 0.42
▸ ACHE P22303 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ MIF P14174 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA4 P22748 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ HTR2B P41595 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ MAPT P10636 1/20 0.41

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
SCHEMBL26768698 0.87 METAP1 (0.49) METAP1KDM4EHTTALDH1A1GLA
SCHEMBL29853615 0.87 METAP1 (0.49) METAP1KDM4EHTTALDH1A1GLA
SCHEMBL268592 0.77 KDM4E (0.56) METAP1KDM4EHTTALDH1A1MAOB
SCHEMBL8474486 0.77 METAP1 (0.44) METAP1KDM4EHTTALDH1A1MAOB
Water SCHEMBL28454486 0.75 KDM4E (0.54) METAP1KDM4EHTTALDH1A1MAOB
SCHEMBL68574 0.74 KDM4E (0.71) METAP1KDM4EHTTALDH1A1MAOB
SCHEMBL115638 0.74 MAOA (0.58) METAP1KDM4EHTTMAOBCYP19A1
SCHEMBL29756894 0.74 MAOA (0.58) METAP1KDM4EHTTMAOBPRNP
SCHEMBL1495967 0.74 MAOA (0.58) METAP1KDM4EHTTMAOBPRNP
SCHEMBL1512717 0.73 METAP1 (0.69) METAP1KDM4EHTTALDH1A1MAOB

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120178781-A1 KAPPA OPIOID RECEPTOR LIGANDS RESEARCH TRIANGLE INSTITUTE (US) 2012-07-12 — — US disclosed
US-20120178781-A1 KAPPA OPIOID RECEPTOR LIGANDS RESEARCH TRIANGLE INSTITUTE (US) 2012-07-12 — — US disclosed
US-8173678-B2 Kappa opioid receptor ligands RESEARCH TRIANGLE INSTITUTE (US) 2012-05-08 — — US disclosed
US-8173678-B2 Kappa opioid receptor ligands RESEARCH TRIANGLE INSTITUTE (US) 2012-05-08 — — US disclosed
EP-1848275-B1 KAPPA OPIOID RECEPTOR LIGANDS RES TRIANGLE INST (US) 2012-05-02 — — EP disclosed
EP-1848275-B1 KAPPA OPIOID RECEPTOR LIGANDS RES TRIANGLE INST (US) 2012-05-02 — — EP disclosed
US-20110065743-A1 KAPPA OPIOID RECEPTOR LIGANDS RESEARCH TRIANGLE INSTITUTE (US) 2011-03-17 — — US disclosed
US-20110065743-A1 KAPPA OPIOID RECEPTOR LIGANDS RESEARCH TRIANGLE INSTITUTE (US) 2011-03-17 — — US disclosed
US-7872023-B2 administering 6-Hydroxy-1,2,3,4-tetrahydro-naphthalene-2(-)-carboxylic acid{1-[4-(3-hydroxyphenyl)-(3R)-(4R)-trans-dimethyl-piperidinylmethyl]-(2S)-methylpropyl}-amide, for the treatment of drug abuse and dependence RESEARCH TRIANGLE INSTITUTE (US) 2011-01-18 — — US disclosed
US-7872023-B2 administering 6-Hydroxy-1,2,3,4-tetrahydro-naphthalene-2(-)-carboxylic acid{1-[4-(3-hydroxyphenyl)-(3R)-(4R)-trans-dimethyl-piperidinylmethyl]-(2S)-methylpropyl}-amide, for the treatment of drug abuse and dependence RESEARCH TRIANGLE INSTITUTE (US) 2011-01-18 — — US disclosed
EP-1848275-A1 KAPPA OPIOID RECEPTOR LIGANDS RESEARCH TRIANGLE INSTITUTE (US) 2007-10-31 — — EP disclosed
WO-2006089130-A1 KAPPA OPIOID RECEPTOR LIGANDS RESEARCH TRIANGLE INSTITUTE (US) 2006-08-24 — — WO disclosed
US-20060183743-A1 Kappa opioid receptor ligands RESEARCH TRIANGLE INSTITUTE (US) 2006-08-17 — — US disclosed
US-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION 2004-07-01 — — US disclosed
US-5886016-A ANTIINFLAMMATORY AGENT WITH MINIMAL SIDE EFFECTS FOR TREATING ARTHRITIS G.D. SEARLE & CO. (US) 1999-03-23 — — US disclosed
US-5670532-A Pyrazolyl derivatives for the treatment of inflammation G. D. SEARLE & CO. (US) 1997-09-23 — — US disclosed
US-5565482-A ANTIINFLAMMATORY AGENTS, ANTIARTHRITIC AGENTS G.D. SEARLE & CO. (US) 1996-10-15 — — US disclosed
US-5547975-A ANTIARTHRIC AGENTS, ANALGESICS AND ANTIPYRETICS; INHIBITORS OF CYCLOOXYGENASE II; SIDE EFFECT REDUCTION G.D. SEARLE & CO. 1996-08-20 — — US disclosed
WO-1996009304-A1 BENZOPYRANOPYRAZOLYL DERIVATIVES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-03-28 — — 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 (4 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-20110065743-A1 KAPPA OPIOID RECEPTOR LIGANDS OPRK1, OPRD1, OPRM1 METAP1 1511/4885KDM4E 2688/4885HTT 1821/4885
US-20060183743-A1 Kappa opioid receptor ligands OPRK1, OPRD1, OPRM1 METAP1 1511/4885KDM4E 2688/4885HTT 1821/4885
US-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MKNK2, MAPKAPK2, MAP3K2 METAP1 2803/4885KDM4E 2167/4885HTT 4566/4885
US-20120178781-A1 KAPPA OPIOID RECEPTOR LIGANDS OPRK1, OPRD1, OPRM1 METAP1 1511/4885KDM4E 2688/4885HTT 1821/4885

“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.

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