SCHEMBL20066433

SCHEMBL20066433

COc1cc(C(=O)N2CCC[C@H]2CO[Si](C)(C)C(C)(C)C)c(N)cc1OCCCOc1cc(N)c(C(=O)N2CCC[C@H]2CO[Si](C)(C)C(C)(C)C)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 8/20 0.41
HCRTR2 O43614 8/20 0.41
LRRK2 Q5S007 2/20 0.40
LMNA P02545 1/20 0.36
ADRA2A P08913 1/20 0.36
DRD2 P14416 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
HTR2A P28223 1/20 0.36
MAPK1 P28482 1/20 0.36
HTR7 P34969 1/20 0.36
HRH1 P35367 1/20 0.36
DRD3 P35462 1/20 0.36
HTR2B P41595 1/20 0.36
KCNH2 Q12809 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
FKBP1A P62942 1/20 0.36
ADORA2A P29274 4/20 0.36

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
SCHEMBL14071841 0.97 HCRTR1 (0.40) HCRTR1HCRTR2LRRK2LMNAADRA2A
SCHEMBL4406414 0.97 HCRTR1 (0.40) HCRTR1HCRTR2LRRK2LMNAADRA2A
SCHEMBL29687401 0.97 HCRTR1 (0.40) HCRTR1HCRTR2LRRK2LMNAADRA2A
SCHEMBL25541152 0.96 LRRK2 (0.39) HCRTR1HCRTR2LRRK2LMNAADRA2A
SCHEMBL14071787 0.94 HCRTR1 (0.42) HCRTR1HCRTR2LRRK2LMNAADRA2A
SCHEMBL4409498 0.94 HCRTR1 (0.42) HCRTR1HCRTR2LRRK2LMNAADRA2A
SCHEMBL21840255 0.93 HCRTR1 (0.39) HCRTR1HCRTR2LRRK2LMNAADRA2A
SCHEMBL21840256 0.93 HCRTR1 (0.39) HCRTR1HCRTR2LRRK2LMNAADRA2A
SCHEMBL21352697 0.92 LRRK2 (0.39) HCRTR1HCRTR2LRRK2LMNAADRA2A
SCHEMBL21352699 0.92 LRRK2 (0.39) HCRTR1HCRTR2LRRK2LMNAADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11649250-B2 Pyrrolobenzodiazepine conjugates MEDIMMUNE LIMITED (GB) 2023-05-16 US disclosed
US-11370801-B2 Pyrrolobenzodiazepine conjugates MEDIMMUNE LIMITED (GB) 2022-06-28 US disclosed
US-11370801-B2 Pyrrolobenzodiazepine conjugates MEDIMMUNE LIMITED (GB) 2022-06-28 US disclosed
EP-3668874-B1 PYRROLOBENZODIAZEPINE CONJUGATES MEDIMMUNE LTD (GB) 2021-12-22 EP disclosed
US-10799595-B2 Pyrrolobenzodiazepine conjugates MEDIMMUNE LIMITED (GB) 2020-10-13 US disclosed
US-20200247823-A1 PYRROLOBENZODIAZEPINE CONJUGATES MEDIMMUNE LIMITED (GB) 2020-08-06 US disclosed
US-20200115390-A1 PYRROLOBENZODIAZEPINE CONJUGATES MEDIMMUNE LIMITED (GB) 2020-04-16 US disclosed
US-20200115390-A1 PYRROLOBENZODIAZEPINE CONJUGATES MEDIMMUNE LIMITED (GB) 2020-04-16 US disclosed
US-20190282705-A1 PYRROLOBENZODIAZEPINE CONJUGATES MEDIMMUNE LIMITED (GB) 2019-09-19 US disclosed
WO-2019034764-A1 PYRROLOBENZODIAZEPINE CONJUGATES MEDIMMUNE LIMITED (GB) 2019-02-21 WO disclosed
WO-2018069490-A1 PYRROLOBENZODIAZEPINE CONJUGATES MEDIMMUNE LIMITED (GB) 2018-04-19 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-20190282705-A1 PYRROLOBENZODIAZEPINE CONJUGATES GABRE, GRIN2B, GABRB1 HCRTR1 333/4885HCRTR2 183/4885LRRK2 2887/4885
US-11649250-B2 Pyrrolobenzodiazepine conjugates CD79B, GABRG2, GABRA1 HCRTR1 1168/4885HCRTR2 1037/4885LRRK2 4476/4885
US-11370801-B2 Pyrrolobenzodiazepine conjugates NR0B2, HRH3, NR0B1 HCRTR1 21/4885HCRTR2 7/4885LRRK2 3106/4885
US-10799595-B2 Pyrrolobenzodiazepine conjugates GABRE, GRIN2B, GABRB1 HCRTR1 333/4885HCRTR2 183/4885LRRK2 2887/4885
US-20200115390-A1 PYRROLOBENZODIAZEPINE CONJUGATES NR0B2, HRH3, NR0B1 HCRTR1 21/4885HCRTR2 7/4885LRRK2 3106/4885
US-20200247823-A1 PYRROLOBENZODIAZEPINE CONJUGATES CD79B, GABRG2, GABRA1 HCRTR1 1168/4885HCRTR2 1037/4885LRRK2 4476/4885

“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.