SCHEMBL3295186

SCHEMBL3295186

C[SiH](C)OC[C@@]1(C(C)(C)C)C[C@@H](O)CN1C(=O)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.40
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
AGTR2 P50052 1/20 0.38
CYP2C19 P33261 1/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.36
PREP P48147 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CACNA1G O43497 1/20 0.36
CACNA1H O95180 1/20 0.36
CACNA1I Q9P0X4 1/20 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
SCHEMBL8699834 1.00 HTR2C (0.40) HTR2CPDK1PDK2PDK3PDK4
SCHEMBL8701753 0.80 NPC1 (0.42) HTR2CPDK1PDK2PDK3PDK4
SCHEMBL8701759 0.80 NPC1 (0.42) HTR2CPDK1PDK2PDK3PDK4
SCHEMBL7576836 0.79 HTR2C (0.37) HTR2CPDK1PDK2PDK3PDK4
SCHEMBL4698979 0.78 NR1H2 (0.36)
SCHEMBL2502213 0.75 HTR2C (0.46) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL2146179 0.75 HTR2C (0.46) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL18340933 0.75 HTR2C (0.46) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL5491000 0.74 SMN1; SMN2 (0.43) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL2435139 0.73 SMN1; SMN2 (0.46) HTR2CPDK1PDK2PDK3PDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2839860-B1 Pyrrolobenzodiazepines and conjugates thereof MEDIMMUNE LTD (GB) 2019-05-01 EP disclosed
EP-2839860-A1 Pyrrolobenzodiazepines and conjugates thereof Spirogen Sàrl (CH) 2015-02-25 EP disclosed
US-8633185-B2 Pyrrolobenzodiazepines SPIROGEN SARL (CH) 2014-01-21 US disclosed
US-7741319-B2 11-hydroxy-5h-pyrrolo[2,1-c][1,4] benzodiazepin-5-one derivatives as key intermediates for the preparation of c2 substituted pyrrolobenzodiazepines SPIROGEN LIMITED (GB) 2010-06-22 US disclosed
US-20100113425-A1 PYRROLOBENZODIAZEPINES SPIROGEN LIMITED (GB) 2010-05-06 US disclosed
EP-1879901-B1 PYRROLOBENZODIAZEPINES SPIROGEN LTD (GB) 2009-12-23 EP disclosed
US-7612062-B2 Pyrrolobenzodiazepines SPIROGEN LIMITED (GB) 2009-11-03 US disclosed
US-20080167293-A1 Pyrrolobenzodiazepines SPIROGEN LIMITED (GB) 2008-07-10 US disclosed
US-20070173497-A1 11-Hydroxy-5h-pyrrolo[2,1-c][1,4] benzodiazepin-5-one derivatives as key intermediates for the preparation of c2 substituted pyrrolobenzodiazepines SPIROGEN LIMITED (GB) 2007-07-26 US disclosed
US-7067511-B2 Pyrrolobenzodiazepines SPIROGEN LIMITED (GB) 2006-06-27 US disclosed
US-7049311-B1 Pyrrolbenzodiazepines SPIROGEN LIMITED (GB) 2006-05-23 US disclosed
EP-1109812-B1 PYRROLOBENZODIAZEPINES SPIROGEN LTD (GB) 2005-05-04 EP disclosed
EP-1413582-A1 Dimeric pyrrolobenzodiazepines Spirogen Limited (GB) 2004-04-28 EP disclosed
US-20030120069-A1 Pyrrolobenzodiazepines SPIROGEN LIMITED (GB) 2003-06-26 US disclosed
EP-1193270-B1 Pyrrolobenzodiazepines SPIROGEN LTD (GB) 2003-05-14 EP disclosed
EP-1193270-A2 Pyrrolobenzodiazepines Spirogen Limited (GB) 2002-04-03 EP 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 (4 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-20100113425-A1 PYRROLOBENZODIAZEPINES CNR1, MC3R, NPSR1 HTR2C 201/4885PDK1 3993/4885PDK2 4117/4885
US-20080167293-A1 Pyrrolobenzodiazepines CNR1, HRH3, NPSR1 HTR2C 176/4885PDK1 3936/4885PDK2 3968/4885
US-20070173497-A1 11-Hydroxy-5h-pyrrolo[2,1-c][1,4] benzodiazepin-5-one derivatives as key intermediates for the preparation of c2 substituted pyrrolobenzodiazepines H1-10, DRD1, SBDS HTR2C 122/4885PDK1 573/4885PDK2 1401/4885
US-20030120069-A1 Pyrrolobenzodiazepines CNR1, CBX2, CNR2 HTR2C 336/4885PDK1 4078/4885PDK2 4104/4885

“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.