SCHEMBL3822778

SCHEMBL3822778

O=c1n(C2CC2)c2ccncc2n1C(CCCCO)c1nc2ccccc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.51
SLC6A2 P23975 3/20 0.37
SLC6A4 P31645 1/20 0.37
IDO1 P14902 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 2/20 0.34
TSHR P16473 1/20 0.34
TNKS O95271 1/20 0.34
FPR1 P21462 2/20 0.34
BLK P51451 2/20 0.34
LYN P07948 1/20 0.34
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
BTK Q06187 1/20 0.33
ATM Q13315 1/20 0.33
ALOX12 P18054 1/20 0.33
PDE10A Q9Y233 1/20 0.33

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
SCHEMBL6245910 0.86 CYP3A4 (0.41) CYP3A4SLC6A2SLC6A4
SCHEMBL3824238 0.75 SLC6A2 (0.43) SLC6A2SLC6A4IDO1L3MBTL1SMN1; SMN2
SCHEMBL6244735 0.74 SLC6A2 (0.33) CYP3A4SLC6A2SLC6A4TNKS
SCHEMBL6274099 0.73 NPSR1 (0.34) CYP3A4SLC6A2SLC6A4L3MBTL1SMN1; SMN2
SCHEMBL3827066 0.72 KDM4E (0.42) IDO1L3MBTL1SMN1; SMN2KDM4EFPR1
SCHEMBL6783759 0.70 TNKS (0.38) CYP3A4SMN1; SMN2KDM4ETSHRTNKS
SCHEMBL3822776 0.68 CYP3A4 (1.00) CYP3A4L3MBTL1SMN1; SMN2KDM4ETSHR
SCHEMBL29413237 0.68 CYP3A4 (1.00) CYP3A4L3MBTL1SMN1; SMN2KDM4ETSHR
SCHEMBL6479798 0.68 TNKS (0.34) CYP3A4SLC6A2SLC6A4L3MBTL1SMN1; SMN2
SCHEMBL6247453 0.65 NPSR1 (0.38) SLC6A2SLC6A4L3MBTL1SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853204-B2 Pharmaceutical composition comprising a benzodiazepine derivative and an inhibitor of the RSV fusion protein ARROW THERAPEUTICS LIMITED (GB) 2014-10-07 US 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
EP-1727550-B1 PHARMACEUTICAL COMPOSITION COMPRISING A BENZODIAZEPINE DERIVATIVE AND AN INHIBITOR OF THE RSV FUSION PROTEIN ARROW THERAPEUTICS LTD (GB) 2009-07-29 EP claimed
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 claimed
US-20070142403-A1 Pharmaceutical composition comprising a benzodiazepine derivative and an inhibitor of the rsv fusion protein NOVARTIS PHARMACEUTICALA CORPORATION (US) 2007-06-21 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
EP-1727551-A1 PHARMACEUTICAL COMPOSITION COMPRISING A BENZODIAZEPINE DERIVATIVE AND A INHIBITOR OF THE RSV FUSION PROTEIN Arrow Therapeutics Limited (GB) 2006-12-06 EP claimed
EP-1727550-A1 PHARMACEUTICAL COMPOSITION COMPRISING A BENZODIAZEPINE DERIVATIVE AND AN INHIBITOR OF THE RSV FUSION PROTEIN Arrow Therapeutics Limited (GB) 2006-12-06 EP claimed
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 claimed
WO-2005089769-A1 PHARMACEUTICAL COMPOSITION COMPRISING A BENZODIAZEPINE DERIVATIVE AND AN INHIBIT OR OF THE RSV FUSION PROTEIN ARROW THERAPEUTICS LIMITED (GB) 2005-09-29 WO claimed
US-8853204-B2 Pharmaceutical composition comprising a benzodiazepine derivative and an inhibitor of the RSV fusion protein ARROW THERAPEUTICS LIMITED (GB) 2014-10-07 US 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
EP-1727550-B1 PHARMACEUTICAL COMPOSITION COMPRISING A BENZODIAZEPINE DERIVATIVE AND AN INHIBITOR OF THE RSV FUSION PROTEIN ARROW THERAPEUTICS LTD (GB) 2009-07-29 EP 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
US-20070142403-A1 Pharmaceutical composition comprising a benzodiazepine derivative and an inhibitor of the rsv fusion protein NOVARTIS PHARMACEUTICALA CORPORATION (US) 2007-06-21 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
EP-1727551-A1 PHARMACEUTICAL COMPOSITION COMPRISING A BENZODIAZEPINE DERIVATIVE AND A INHIBITOR OF THE RSV FUSION PROTEIN Arrow Therapeutics Limited (GB) 2006-12-06 EP disclosed
EP-1727550-A1 PHARMACEUTICAL COMPOSITION COMPRISING A BENZODIAZEPINE DERIVATIVE AND AN INHIBITOR OF THE RSV FUSION PROTEIN Arrow Therapeutics Limited (GB) 2006-12-06 EP disclosed
WO-2005089769-A1 PHARMACEUTICAL COMPOSITION COMPRISING A BENZODIAZEPINE DERIVATIVE AND AN INHIBIT OR OF THE RSV FUSION PROTEIN 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

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 CYP3A4 170/4885SLC6A2 2069/4885SLC6A4 1184/4885
US-20070142403-A1 Pharmaceutical composition comprising a benzodiazepine derivative and an inhibitor of the rsv fusion protein GABRP, TSPO, GABRA1 CYP3A4 170/4885SLC6A2 2069/4885SLC6A4 1184/4885

“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.