SCHEMBL17080918

SCHEMBL17080918

CC(C)(C)OC(=O)N1CCC(c2cccc(F)c2C=O)CC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.49
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
STS P08842 1/20 0.46
THRB P10828 2/20 0.46
TP53 P04637 1/20 0.46
KDM4E B2RXH2 1/20 0.46
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
NAMPT P43490 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL27599678 0.85 GPR119 (0.55) GPR119MAPTSMN1; SMN2THRBTP53
SCHEMBL921685 0.84 GPR119 (0.50) GPR119MAPTSMN1; SMN2STSTHRB
SCHEMBL17222912 0.83 MAPT (0.51) GPR119MAPTSMN1; SMN2STSTHRB
SCHEMBL17222987 0.82 RBP4 (0.52) GPR119MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL4540763 0.82 GPR119 (0.51) GPR119MAPTSMN1; SMN2THRBTP53
SCHEMBL2103090 0.81 THRB (0.48) GPR119MAPTSMN1; SMN2STSTHRB
SCHEMBL17080916 0.81 GPR119 (0.55) GPR119MAPTSMN1; SMN2THRBTP53
SCHEMBL28812695 0.81 GPR119 (0.54) GPR119MAPTSMN1; SMN2STSTHRB
SCHEMBL30749320 0.81 GPR119 (0.53) GPR119MAPTSMN1; SMN2STSTHRB
SCHEMBL2102993 0.81 GPR119 (0.53) GPR119MAPTSMN1; SMN2STSTHRB

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 1108/4885MAPT 280/4885SMN1; SMN2 41/4885
US-20170158680-A1 HETEROCYCLIC COMPOUNDS, PROCESS FOR PREPARATION OF THE SAME AND USE THEREOF CYP11B2, CYP11B1, ADCYAP1R1 GPR119 1108/4885MAPT 280/4885SMN1; SMN2 41/4885

“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.