SCHEMBL3829188

SCHEMBL3829188

COC(=O)c1sccc1CN1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.52
HCRTR1 O43613 1/20 0.52
HCRTR2 O43614 1/20 0.52
ALDH1A1 P00352 3/20 0.50
CASR P41180 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MAPK1 P28482 1/20 0.47
GLA P06280 1/20 0.46
CBLB Q13191 1/20 0.46
CYP2C9 P11712 1/20 0.45
ALOX15 P16050 1/20 0.45
HSD17B10 Q99714 1/20 0.45
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
HIF1A Q16665 1/20 0.44
EPAS1 Q99814 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
SCHEMBL3829272 0.83 CYP2C9 (0.50) KMT2ASMN1; SMN2CBLBCYP2C9ALOX15
SCHEMBL6590035 0.80 HCRTR1 (0.54) KMT2AHCRTR1HCRTR2ALDH1A1SMN1; SMN2
SCHEMBL5216465 0.75 HCRTR1 (0.60) HCRTR1HCRTR2ALDH1A1SMN1; SMN2MAPK1
SCHEMBL8630249 0.74 KMT2A (0.62) KMT2AALDH1A1TDP1SMN1; SMN2HSD17B10
SCHEMBL3826794 0.74 HCRTR1 (0.53) KMT2AHCRTR1HCRTR2ALDH1A1SMN1; SMN2
SCHEMBL2221724 0.74 HCRTR1 (0.59) KMT2AHCRTR1HCRTR2ALDH1A1SMN1; SMN2
SCHEMBL3823243 0.73 HRH3 (0.60) KMT2AHCRTR1HCRTR2ALDH1A1SMN1; SMN2
SCHEMBL22711426 0.73 CYP2A13 (0.46) KMT2AHCRTR1HCRTR2ALDH1A1CASR
SCHEMBL30696969 0.73 CYP2A13 (0.46) KMT2AHCRTR1HCRTR2ALDH1A1CASR
SCHEMBL4683311 0.73 KMT2A (0.56) KMT2AALDH1A1TDP1SMN1; SMN2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (2 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 KMT2A 3735/4885HCRTR1 3582/4885HCRTR2 2674/4885
US-20080139536-A1 Benzodiazepines for Treating or Preventing Rsv Infection CNR1, CBR1, CBR3 KMT2A 1496/4885HCRTR1 13/4885HCRTR2 20/4885

“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.