SCHEMBL1243301

SCHEMBL1243301

O=C(O)c1ccc(CN2CCOCC2)o1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 1.00
HRH3 Q9Y5N1 2/20 0.60
ALDH1A1 P00352 3/20 0.55
NPSR1 Q6W5P4 2/20 0.55
KDM4E B2RXH2 2/20 0.52
GAA P10253 1/20 0.52
TDP1 Q9NUW8 2/20 0.51
MAPT P10636 1/20 0.50
POLB P06746 2/20 0.48
HIF1A Q16665 1/20 0.48
EPAS1 Q99814 1/20 0.48
HPGD P15428 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
Hydrochloric Acid SCHEMBL3500894 0.98 HTT (0.97) HTTHRH3ALDH1A1NPSR1KDM4E
SCHEMBL546627 0.87 HTT (0.77) HTTHRH3ALDH1A1NPSR1KDM4E
SCHEMBL4136038 0.86 HTT (0.75) HTTHRH3ALDH1A1NPSR1KDM4E
SCHEMBL1286688 0.86 HTT (0.75) HTTHRH3ALDH1A1NPSR1KDM4E
SCHEMBL3585672 0.85 HTT (0.74) HTTHRH3ALDH1A1NPSR1KDM4E
Hydrochloric Acid SCHEMBL3500984 0.84 HTT (0.73) HTTHRH3ALDH1A1NPSR1KDM4E
SCHEMBL25062750 0.83 HTT (0.71) HTTHRH3ALDH1A1NPSR1KDM4E
SCHEMBL21044234 0.83 HTT (0.70) HTTHRH3ALDH1A1NPSR1KDM4E
SCHEMBL3823611 0.83 HTT (0.70) HTTHRH3ALDH1A1NPSR1KDM4E
SCHEMBL13627729 0.82 HTT (0.69) HTTHRH3ALDH1A1NPSR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104530071-A Preparation method of trifunctional acrylate photopolymerizable monomer in dual-loop structure CHANGZHOU ADVANCED MAT INST OF BEIJING UNIV CHEMICAL TECH 2015-04-22 CN claimed
EP-1727551-B1 PHARMACEUTICAL COMPOSITION COMPRISING A BENZODIAZEPINE DERIVATIVE AND A INHIBITOR OF THE RSV FUSION PROTEIN ARROW THERAPEUTICS LTD (GB) 2009-09-09 EP claimed
CN-100496499-C Pharmaceutical composition comprising a benzodiazepine derivative and an inhibitor of the RSV fusion protein ARROW THERAPEUTICS LTD (GB) 2009-06-10 CN claimed
US-20080139536-A1 Benzodiazepines for Treating or Preventing Rsv Infection NOVARTIS PHARMACEUTICALS CORPORATION (US) 2008-06-12 US claimed
US-20070293482-A1 Process for Preparing Benzodiazepines NOVARTIS PHARMACEUTICALS CORPORATION (US) 2007-12-20 US claimed
CN-1933841-A Pharmaceutical composition comprising a benzodiazepine derivative and an inhibitor of the rsv fusion protein ARROW THERAPEUTICS LTD (GB) 2007-03-21 CN claimed
CN-1929848-A Benzodiazepines for treating or preventing or preventing RSV infection ARROW THERAPEUTICS LTD (GB) 2007-03-14 CN claimed
EP-4563146-A1 FLAVIVIRUS INHIBITORS IRBM S.P.A. (IT) 2025-06-04 EP disclosed
US-20230054997-A1 COPPER COMPLEXES FOR TREATMENT OF NEURODEGENERATIVE DISORDERS ALS THERAPY DEVELOPMENT INSTITUTE, 2023-02-23 US disclosed
EP-2772490-B1 AMINOALKYL-SUBSTITUTED N-THIENYL BENZAMIDE DERIVATIVE ASTELLAS PHARMA INC (JP) 2016-04-06 EP disclosed
US-9062032-B2 Aminoalkyl-substituted N-thienylbenzamide derivative ASTELLAS PHARMA INC. (JP) 2015-06-23 US disclosed
CN-104530071-A Preparation method of trifunctional acrylate photopolymerizable monomer in dual-loop structure CHANGZHOU ADVANCED MAT INST OF BEIJING UNIV CHEMICAL TECH 2015-04-22 CN disclosed
US-20150031727-A1 AMINOALKYL-SUBSTITUTED N-THIENYLBENZAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2015-01-29 US disclosed
EP-1644375-A2 FUSED-ARYL AND HETEROARYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2006-04-12 EP disclosed
WO-2005089770-A1 BENZODIAZEPINES FOR TREATING OR PREVENTING OR PREVENTING RSV INFECTION ARROW THERAPEUTICS LIMITED (GB) 2005-09-29 WO disclosed
WO-2005089771-A1 PHARMACEUTICAL COMPOSITION COMPRISING A BENZODIAZEPINE DERIVATIVE AND A INHIBITOR OF THE RSV FUSION PROTEIN ARROW THERAPEUTICS LIMITED (GB) 2005-09-29 WO disclosed
US-20050176786-A1 Bicyclic pyrazolo protein kinase modulators STRUCTURAL GENOMIX (US) 2005-08-11 US disclosed
WO-2005068473-A1 BICYCLIC PYRAZOLO-FUSED COMPOUNDS AS PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2005-07-28 WO disclosed
US-20050059650-A1 Fused-aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. 2005-03-17 US disclosed
WO-2005007658-A2 FUSED-ARYL AND HETEROARYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2005-01-27 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 (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-20050176786-A1 Bicyclic pyrazolo protein kinase modulators MAP3K20, MAP4K2, MAP4K3 HTT 4039/4885HRH3 3174/4885ALDH1A1 4737/4885
US-20150031727-A1 AMINOALKYL-SUBSTITUTED N-THIENYLBENZAMIDE DERIVATIVE SLC34A2, SLC10A2, ALPI HTT 1607/4885HRH3 809/4885ALDH1A1 2845/4885
US-20230054997-A1 COPPER COMPLEXES FOR TREATMENT OF NEURODEGENERATIVE DISORDERS SOD1, SMN1; SMN2, CLN6 HTT 9/4885HRH3 3550/4885ALDH1A1 1721/4885
US-20070293482-A1 Process for Preparing Benzodiazepines CNR1, SIGMAR1, GABRA3 HTT 1933/4885HRH3 105/4885ALDH1A1 1301/4885
US-20050059650-A1 Fused-aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto CYP7A1, CYP27A1, CYP4F3 HTT 1594/4885HRH3 2231/4885ALDH1A1 210/4885
US-20080139536-A1 Benzodiazepines for Treating or Preventing Rsv Infection CNR1, CBR1, CBR3 HTT 2576/4885HRH3 62/4885ALDH1A1 1328/4885

“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.