SCHEMBL15061808

SCHEMBL15061808

CN1CCN(C(=O)OI)CC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
HTR1A P08908 1/20 0.42
HTT P42858 2/20 0.38
HSD11B1 P28845 1/20 0.38
PHGDH O43175 1/20 0.38
MGLL Q99685 1/20 0.38
POLB P06746 3/20 0.37
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
MAPT P10636 1/20 0.36
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL12331159 0.81 CYP1A2 (0.52) CYP1A2TDP1HTTPOLBALDH1A1
SCHEMBL303850 0.78 TDP1 (0.54) CYP1A2TDP1HTR1AMAPTALDH1A1
SCHEMBL12331158 0.77
SCHEMBL303849 0.76 CYP1A2 (0.52) CYP1A2TDP1HTR1AHTTHSD11B1
SCHEMBL18823195 0.76 CYP1A2 (0.52) CYP1A2TDP1HTR1AHTTHSD11B1
SCHEMBL15934198 0.76 CYP1A2 (0.52) CYP1A2TDP1HTR1AHTTHSD11B1
SCHEMBL13015354 0.75 ALDH1A1 (0.50) HTTHSD11B1POLBLMNANPSR1
SCHEMBL6932584 0.74 TDP1 (0.56) CYP1A2TDP1HTR1AHTTHSD11B1
SCHEMBL9153460 0.74 ALDH1A1 (0.62) CYP1A2TDP1HTR1AHTTPOLB
SCHEMBL847825 0.74 ALDH1A1 (0.62) CYP1A2TDP1HTR1AHTTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230372528-A1 GLYCOCONJUGATES UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. 2023-11-23 US disclosed
EP-3612537-B1 PYRROLOBENZODIAZEPINE CONJUGATES MEDIMMUNE LTD (GB) 2022-07-13 EP disclosed
US-11370801-B2 Pyrrolobenzodiazepine conjugates MEDIMMUNE LIMITED (GB) 2022-06-28 US disclosed
US-20220160881-A1 AZETIDOBENZODIAZEPINE DIMERS AND CONJUGATES COMPRISING THEM FOR USE IN THE TREATMENT OF CANCER MEDIMMUNE LIMITED (GB) 2022-05-26 US disclosed
EP-3919492-A1 PYRIMIDINYL GROUP-CONTAINING TRICYCLIC COMPOUND SERVING AS C-MET INHIBITOR Medshine Discovery Inc. (CN) 2021-12-08 EP disclosed
WO-2020156453-A1 PYRIMIDINYL GROUP-CONTAINING TRICYCLIC COMPOUND SERVING AS C-MET INHIBITOR 南京明德新药研发有限公司 2020-08-06 WO disclosed
US-20200115390-A1 PYRROLOBENZODIAZEPINE CONJUGATES MEDIMMUNE LIMITED (GB) 2020-04-16 US disclosed
US-10188746-B2 Pyrrolobenzodiazepines and conjugates thereof MEDIMMUNE LIMITED (GB) 2019-01-29 US disclosed
US-20170340752-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF MEDIMMUNE LIMITED (GB) 2017-11-30 US disclosed
EP-2265588-B1 INHIBITORS OF 11ß -HYDROXYSTEROID DEHYDROGENASE TYPE 1 VITAE PHARMACEUTICALS INC (US) 2013-06-26 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 (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-11370801-B2 Pyrrolobenzodiazepine conjugates NR0B2, HRH3, NR0B1 CYP1A2 494/4885TDP1 3652/4885HTR1A 495/4885
US-20230372528-A1 GLYCOCONJUGATES CD22, SIGLEC7, CD47 CYP1A2 3641/4885TDP1 2308/4885HTR1A 3850/4885
US-20200115390-A1 PYRROLOBENZODIAZEPINE CONJUGATES NR0B2, HRH3, NR0B1 CYP1A2 494/4885TDP1 3652/4885HTR1A 495/4885
US-20220160881-A1 AZETIDOBENZODIAZEPINE DIMERS AND CONJUGATES COMPRISING THEM FOR USE IN THE TREATMENT OF CANCER BCR, UGT2B17, BCL6B CYP1A2 361/4885TDP1 3229/4885HTR1A 575/4885
US-10188746-B2 Pyrrolobenzodiazepines and conjugates thereof CD22, GABRA1, CCNB1 CYP1A2 722/4885TDP1 2369/4885HTR1A 968/4885
US-20170340752-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF CD22, GABRA1, CCNB1 CYP1A2 722/4885TDP1 2369/4885HTR1A 968/4885

“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.