SCHEMBL17080911

SCHEMBL17080911

CC(C)(C)OC(=O)N1CCC(c2cccc3sccc23)CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
NAMPT P43490 1/20 0.44
DTYMK P23919 1/20 0.43
STS P08842 1/20 0.43
HPGDS O60760 1/20 0.43
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN6 P29350 1/20 0.43
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
JAK3 P52333 1/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL23359997 0.81 ALDH1A1 (0.52) GPR119KDM4EMAPTDTYMKSTS
SCHEMBL30368880 0.81 GPR119 (0.53) GPR119KDM4EMAPTTHRBNAMPT
SCHEMBL23443529 0.81 GPR119 (0.53) GPR119KDM4EMAPTTHRBNAMPT
SCHEMBL17080912 0.80 GPR119 (0.46) GPR119KDM4EMAPTTHRBNAMPT
SCHEMBL19284733 0.80 GPR119 (0.50) GPR119KDM4EMAPTTHRBNAMPT
SCHEMBL17996847 0.80 DTYMK (0.48) GPR119MAPTDTYMK
SCHEMBL30368707 0.80 GPR119 (0.46) GPR119KDM4EMAPTTHRBNAMPT
SCHEMBL19297153 0.80 GPR119 (0.46) GPR119KDM4EMAPTTHRBNAMPT
SCHEMBL1425292 0.79 GPR119 (0.50) GPR119KDM4EMAPTTHRBNAMPT
SCHEMBL14143336 0.79 JAK1 (0.57) GPR119KDM4EMAPTTHRBNAMPT

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-3115361-B1 HETEROCYCLIC COMPOUNDS, AND PREPARATION METHOD AND USE THEREOF SHANGHAI INST MATERIA MEDICA CAS (CN) 2019-10-23 EP disclosed
US-10174011-B2 Heterocyclic compounds, process for preparation of the same and use thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2019-01-08 US disclosed
US-20170158680-A1 HETEROCYCLIC COMPOUNDS, PROCESS FOR PREPARATION OF THE SAME AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2017-06-08 US disclosed
US-20170158680-A1 HETEROCYCLIC COMPOUNDS, PROCESS FOR PREPARATION OF THE SAME AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2017-06-08 US disclosed
EP-3115361-A1 HETEROCYCLIC COMPOUNDS, AND PREPARATION METHOD AND USE THEREOF Shanghai Institute Of Materia Medica Chinese Academy of Sciences (CN) 2017-01-11 EP disclosed
WO-2015131856-A1 HETEROCYCLIC COMPOUNDS, AND PREPARATION METHOD AND USE THEREOF 中国科学院上海药物研究所 2015-09-11 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-10174011-B2 Heterocyclic compounds, process for preparation of the same and use thereof CYP11B2, CYP11B1, ADCYAP1R1 GPR119 1108/4885KDM4E 2810/4885MAPT 280/4885
US-20170158680-A1 HETEROCYCLIC COMPOUNDS, PROCESS FOR PREPARATION OF THE SAME AND USE THEREOF CYP11B2, CYP11B1, ADCYAP1R1 GPR119 1108/4885KDM4E 2810/4885MAPT 280/4885

“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.