SCHEMBL846218

SCHEMBL846218

COC(=O)c1ccc2c(c1)CCN2C(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.53
▸ HDAC6 Q9UBN7 1/20 0.53
▸ PDK1 Q15118 1/20 0.50
▸ PDK2 Q15119 1/20 0.50
▸ PDK3 Q15120 1/20 0.50
▸ PDK4 Q16654 1/20 0.50
▸ SRD5A1 P18405 3/20 0.48
▸ SRD5A2 P31213 2/20 0.48
▸ KDM4E B2RXH2 3/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ GPR119 Q8TDV5 5/20 0.45
▸ NOTUM Q6P988 1/20 0.45
▸ UCHL1 P09936 1/20 0.44
▸ USP30 Q70CQ3 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ CHRM4 P08173 1/20 0.44
▸ DRD2 P14416 1/20 0.44

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
SCHEMBL23063853 0.90 HDAC1 (0.52) HDAC1HDAC6PDK1PDK2PDK3
SCHEMBL3571209 0.90 HDAC1 (0.53) HDAC1HDAC6PDK1PDK2PDK3
SCHEMBL29940282 0.90 HDAC1 (0.53) HDAC1HDAC6PDK1PDK2PDK3
SCHEMBL30527088 0.87 DHODH (0.49) PDK1PDK2PDK3PDK4SRD5A1
SCHEMBL19689700 0.87 GPR119 (0.47) SRD5A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL380505 0.87 DHODH (0.49) PDK1PDK2PDK3PDK4SRD5A1
SCHEMBL21724876 0.86 GPR119 (0.46) HDAC1HDAC6SRD5A1KDM4ERAB9A
SCHEMBL30681278 0.85 GPR119 (0.45) SRD5A1KDM4EGPR119NOTUMCHRM4
SCHEMBL19689701 0.84 ALDH1A1 (0.51) SRD5A1KDM4ERAB9ASMN1; SMN2GPR119
SCHEMBL19692691 0.83 HTT (0.49) HDAC1HDAC6SMN1; SMN2GPR119TP53

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1233962-B1 NOVEL HETEROCYCLIC COMPOUNDS AND THEIR USE AS MEDICINES SOD CONSEILS RECH APPLIC (FR) 2006-03-01 — — EP claimed
US-20040180936-A1 Heterocyclic compounds and their use as medicaments SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIEQUES (S.C.R.A.S.) 2004-09-16 — — US claimed
US-20240254110-A1 FUSED 1,4-DIHYDRODIOXIN DERIVATIVES AS INHIBITORS OF HEAT SHOCK TRANSCRIPTION FACTOR 1 CANCER RESEARCH TECH LTD (GB) 2024-08-01 — — US disclosed
US-11787786-B2 Fused 1,4-dihydrodioxin derivatives as inhibitors of heat shock transcription factor 1 CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2023-10-17 — — US disclosed
US-20220220097-A1 FUSED 1,4-DIHYDRODIOXIN DERIVATIVES AS INHIBITORS OF HEAT SHOCK TRANSCRIPTION FACTOR 1 CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2022-07-14 — — US disclosed
US-20160289216-A1 FUSED 1,4-DIHYDRODIOXIN DERIVATIVES AS INHIBITORS OF HEAT SHOCK TRANSCRIPTION FACTOR 1 CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2016-10-06 — — US disclosed
US-8394828-B2 Quinoline-derived amide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA, NV (BE) 2013-03-12 — — US disclosed
US-8394828-B2 Quinoline-derived amide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA, NV (BE) 2013-03-12 — — US disclosed
EP-1603883-B1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2012-03-28 — — EP disclosed
EP-1603883-B1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2012-03-28 — — EP disclosed
EP-2308848-A1 Quinoline-derived amide modulators of vanilloid VR1 receptor Janssen Pharmaceutica NV (BE) 2011-04-13 — — EP disclosed
EP-2017263-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-01-21 — — EP disclosed
EP-2017263-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-01-21 — — EP disclosed
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR CODD ELLEN 2008-12-04 — — US disclosed
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR CODD ELLEN 2008-12-04 — — US disclosed
EP-1603883-A2 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2005-12-14 — — EP disclosed
US-20040192728-A1 Quinoline-derived amide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2004-09-30 — — US disclosed
US-20040180936-A1 Heterocyclic compounds and their use as medicaments SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIEQUES (S.C.R.A.S.) 2004-09-16 — — US disclosed
WO-2004069792-A2 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (US) 2004-08-19 — — WO disclosed
US-6747024-B1 INHIBITING CALPAIN AND/OR REACTIVE OXYGEN SPECIES IN WARM-BLOODED ANIMALS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2004-06-08 — — US 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 (7 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-20040180936-A1 Heterocyclic compounds and their use as medicaments CAPN1, CAPN2, CAPNS1 HDAC1 281/4885HDAC6 141/4885PDK1 1641/4885
US-20240254110-A1 FUSED 1,4-DIHYDRODIOXIN DERIVATIVES AS INHIBITORS OF HEAT SHOCK TRANSCRIPTION FACTOR 1 HSF1, HSP90AB1, HSPB1 HDAC1 655/4885HDAC6 598/4885PDK1 280/4885
US-20160289216-A1 FUSED 1,4-DIHYDRODIOXIN DERIVATIVES AS INHIBITORS OF HEAT SHOCK TRANSCRIPTION FACTOR 1 HSF1, HSP90AB1, HSPB1 HDAC1 430/4885HDAC6 262/4885PDK1 131/4885
US-11787786-B2 Fused 1,4-dihydrodioxin derivatives as inhibitors of heat shock transcription factor 1 HSF1, HSP90AB1, HSPB1 HDAC1 655/4885HDAC6 598/4885PDK1 280/4885
US-20040192728-A1 Quinoline-derived amide modulators of vanilloid VR1 receptor TRPV1, OPRL1, TRPV2 HDAC1 1481/4885HDAC6 2315/4885PDK1 4713/4885
US-20220220097-A1 FUSED 1,4-DIHYDRODIOXIN DERIVATIVES AS INHIBITORS OF HEAT SHOCK TRANSCRIPTION FACTOR 1 HSF1, HSP90AB1, HSPB1 HDAC1 655/4885HDAC6 598/4885PDK1 280/4885
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR TRPV1, OPRL1, TRPV2 HDAC1 1481/4885HDAC6 2315/4885PDK1 4713/4885

“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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