SCHEMBL3823243

SCHEMBL3823243

COC(=O)c1ccc(CN2CCOCC2)s1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.60
HIF1A Q16665 1/20 0.56
EPAS1 Q99814 1/20 0.56
HCRTR1 O43613 1/20 0.52
HCRTR2 O43614 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.50
MAPK1 P28482 1/20 0.50
KMT2A Q03164 1/20 0.46
TBK1 Q9UHD2 1/20 0.45
ALDH1A1 P00352 5/20 0.44
HPGD P15428 3/20 0.44
ALOX15 P16050 1/20 0.44
MGLL Q99685 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KDM4E B2RXH2 2/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
PDE9A O76083 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
SCHEMBL6580820 0.88 HRH3 (0.56) HRH3HIF1AEPAS1SMN1; SMN2MAPK1
SCHEMBL3825358 0.86 HRH3 (0.60) HRH3HIF1AEPAS1SMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL15987442 0.85 HRH3 (0.59) HRH3HIF1AEPAS1KMT2AALDH1A1
SCHEMBL16761062 0.84 ALDH1A1 (0.54) HRH3HIF1AEPAS1MAPK1ALDH1A1
SCHEMBL1588349 0.78 HPGD (0.76) HRH3KMT2AALDH1A1HPGDALOX15
SCHEMBL277405 0.77 KMT2A (0.61) KMT2AALDH1A1ALOX15KDM4ELMNA
Trifluoroacetic Acid SCHEMBL16761364 0.77 ALDH1A1 (0.46) HRH3HIF1AEPAS1ALDH1A1
SCHEMBL276182 0.75 HTT (0.66) SMN1; SMN2MAPK1KMT2AALDH1A1HPGD
SCHEMBL8281957 0.75 HRH3 (0.68) HRH3HIF1AEPAS1KMT2AALDH1A1
SCHEMBL3384379 0.75 HRH3 (1.00) HRH3HPGD

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
EP-2772490-B1 AMINOALKYL-SUBSTITUTED N-THIENYL BENZAMIDE DERIVATIVE ASTELLAS PHARMA INC (JP) 2016-04-06 EP disclosed
EP-2772490-B1 AMINOALKYL-SUBSTITUTED N-THIENYL BENZAMIDE DERIVATIVE ASTELLAS PHARMA INC (JP) 2016-04-06 EP disclosed
CN-103906741-B Aminoalkyl substituted N-thienylbenzamide derivatives ASTELLAS PHARMA INC. (JP) 2016-01-20 CN disclosed
US-9062032-B2 Aminoalkyl-substituted N-thienylbenzamide derivative ASTELLAS PHARMA INC. (JP) 2015-06-23 US disclosed
US-9062032-B2 Aminoalkyl-substituted N-thienylbenzamide derivative ASTELLAS PHARMA INC. (JP) 2015-06-23 US disclosed
US-9062032-B2 Aminoalkyl-substituted N-thienylbenzamide derivative ASTELLAS PHARMA INC. (JP) 2015-06-23 US disclosed
US-20150031727-A1 AMINOALKYL-SUBSTITUTED N-THIENYLBENZAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2015-01-29 US disclosed
US-20150031727-A1 AMINOALKYL-SUBSTITUTED N-THIENYLBENZAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2015-01-29 US disclosed
US-20150031727-A1 AMINOALKYL-SUBSTITUTED N-THIENYLBENZAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2015-01-29 US disclosed
EP-2772490-A1 AMINOALKYL-SUBSTITUTED N-THIENYL BENZAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2014-09-03 EP disclosed
EP-2772490-A1 AMINOALKYL-SUBSTITUTED N-THIENYL BENZAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2014-09-03 EP disclosed
CN-103906741-A Aminoalkyl substituted N-thienylbenzamide derivatives ASTELLAS PHARMA INC 2014-07-02 CN disclosed
WO-2013062065-A1 AMINOALKYL-SUBSTITUTED N-THIENYL BENZAMIDE DERIVATIVE アステラス製薬株式会社 (JP) 2013-05-02 WO disclosed
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 disclosed
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 disclosed
US-20080139536-A1 Benzodiazepines for Treating or Preventing Rsv Infection NOVARTIS PHARMACEUTICALS CORPORATION (US) 2008-06-12 US disclosed
US-20070185096-A1 Pharmaceutical composition comprising a benzodiazepine derivative and an inhibitor of the rsv fusion protein NOVARTIS PHARMACEUTICALS CORPORATION (US) 2007-08-09 US disclosed
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 disclosed
CN-1929848-A Benzodiazepines for treating or preventing or preventing RSV infection ARROW THERAPEUTICS LTD (GB) 2007-03-14 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 (3 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-20070185096-A1 Pharmaceutical composition comprising a benzodiazepine derivative and an inhibitor of the rsv fusion protein GABRP, TSPO, GABRA1 HRH3 1254/4885HIF1A 1404/4885EPAS1 2280/4885
US-20150031727-A1 AMINOALKYL-SUBSTITUTED N-THIENYLBENZAMIDE DERIVATIVE SLC34A2, SLC10A2, ALPI HRH3 809/4885HIF1A 3218/4885EPAS1 3031/4885
US-20080139536-A1 Benzodiazepines for Treating or Preventing Rsv Infection CNR1, CBR1, CBR3 HRH3 62/4885HIF1A 635/4885EPAS1 4074/4885

“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.