SCHEMBL380505

SCHEMBL380505

CC(C)(C)OC(=O)N1CCc2cc(C(=O)O)ccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.49
GPR119 Q8TDV5 6/20 0.47
BRD4 O60885 1/20 0.45
PDK1 Q15118 1/20 0.45
PDK2 Q15119 1/20 0.45
PDK3 Q15120 1/20 0.45
PDK4 Q16654 1/20 0.45
KDM4E B2RXH2 2/20 0.45
SRD5A1 P18405 1/20 0.45
MPO P05164 1/20 0.44
NOTUM Q6P988 3/20 0.44
ALDH1A1 P00352 2/20 0.43
ABHD6 Q9BV23 1/20 0.43
HPGD P15428 1/20 0.43
RECQL P46063 1/20 0.43
ESR2 Q92731 1/20 0.43
MAPT P10636 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CHRM4 P08173 1/20 0.43
DRD2 P14416 1/20 0.43

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
SCHEMBL30527088 1.00 DHODH (0.49) DHODHGPR119BRD4PDK1PDK2
SCHEMBL30076622 0.93 KDM4E (0.53) DHODHBRD4PDK1PDK2PDK3
SCHEMBL380901 0.93 KDM4E (0.53) DHODHBRD4PDK1PDK2PDK3
SCHEMBL23063788 0.90 BRD4 (0.49) DHODHGPR119BRD4KDM4EMPO
SCHEMBL29939759 0.89 CHRM4 (0.50) DHODHGPR119BRD4NOTUMALDH1A1
SCHEMBL19689700 0.89 GPR119 (0.47) DHODHGPR119KDM4ESRD5A1NOTUM
SCHEMBL1270523 0.89 CHRM4 (0.50) DHODHGPR119BRD4NOTUMALDH1A1
SCHEMBL21724876 0.88 GPR119 (0.46) DHODHGPR119BRD4KDM4ESRD5A1
SCHEMBL846218 0.87 HDAC1 (0.53) DHODHGPR119PDK1PDK2PDK3
SCHEMBL30681278 0.87 GPR119 (0.45) DHODHGPR119BRD4KDM4ESRD5A1

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 59 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
CN-1391571-A Heterocyclic compounds and their use as medicines SOD CONSEILS RECH APPLIC (FR) 2003-01-15 CN 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
CN-109810041-B Halogenated allylamine SSAO/VAP-1 inhibitor and application thereof 药捷安康(南京)科技股份有限公司 2023-08-15 CN disclosed
US-11649233-B2 Halo-allylamine SSAO/VAP-1 inhibitor and use thereof NANJING TRANSTHERA BIOSCIENCES CO., LTD. (CN) 2023-05-16 US disclosed
US-11649233-B2 Halo-allylamine SSAO/VAP-1 inhibitor and use thereof NANJING TRANSTHERA BIOSCIENCES CO., LTD. (CN) 2023-05-16 US disclosed
US-11649233-B2 Halo-allylamine SSAO/VAP-1 inhibitor and use thereof NANJING TRANSTHERA BIOSCIENCES CO., LTD. (CN) 2023-05-16 US disclosed
US-11572374-B2 N-cyano-7-azanorbornane derivatives and uses thereof AMGEN INC. (US) 2023-02-07 US disclosed
US-11572374-B2 N-cyano-7-azanorbornane derivatives and uses thereof AMGEN INC. (US) 2023-02-07 US disclosed
US-20060205772-A1 Amide derivatives and their use as inhibitors of 11-beta-hydroxysteroid dehydrogenase type I COPPOLA GARY M 2006-09-14 US disclosed
EP-1603883-A2 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2005-12-14 EP disclosed
EP-1590319-A1 AMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 Novartis AG (CH) 2005-11-02 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
WO-2004065351-A1 AMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 NOVARTIS AG (CH) 2004-08-05 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
CN-1391571-A Heterocyclic compounds and their use as medicines SOD CONSEILS RECH APPLIC (FR) 2003-01-15 CN 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 DHODH 3726/4885GPR119 2605/4885BRD4 1050/4885
US-11649233-B2 Halo-allylamine SSAO/VAP-1 inhibitor and use thereof VAPB, VAPA, ADRA1D DHODH 3059/4885GPR119 2739/4885BRD4 1545/4885
US-20060205772-A1 Amide derivatives and their use as inhibitors of 11-beta-hydroxysteroid dehydrogenase type I HSD11B1, HSD11B2, CYP11B1 DHODH 683/4885GPR119 33/4885BRD4 3881/4885
US-20240254110-A1 FUSED 1,4-DIHYDRODIOXIN DERIVATIVES AS INHIBITORS OF HEAT SHOCK TRANSCRIPTION FACTOR 1 HSF1, HSP90AB1, HSPB1 DHODH 254/4885GPR119 3076/4885BRD4 931/4885
US-11572374-B2 N-cyano-7-azanorbornane derivatives and uses thereof CYP3A7, CYP51A1, NT5C3B DHODH 150/4885GPR119 3448/4885BRD4 3281/4885
US-11787786-B2 Fused 1,4-dihydrodioxin derivatives as inhibitors of heat shock transcription factor 1 HSF1, HSP90AB1, HSPB1 DHODH 254/4885GPR119 3076/4885BRD4 931/4885
US-20040192728-A1 Quinoline-derived amide modulators of vanilloid VR1 receptor TRPV1, OPRL1, TRPV2 DHODH 3329/4885GPR119 1019/4885BRD4 418/4885

“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.