SCHEMBL18280215

SCHEMBL18280215

CC(C)(C)OC(=O)N1CCC(=Cc2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 1/20 0.52
▸ LIPE Q05469 1/20 0.48
▸ OGA O60502 2/20 0.47
▸ GRM5 P41594 1/20 0.43
▸ KCNH2 Q12809 1/20 0.42
▸ SCN5A Q14524 1/20 0.42
▸ SCN9A Q15858 1/20 0.42
▸ PIM1 P11309 1/20 0.41
▸ PIM2 Q9P1W9 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ ABHD6 Q9BV23 2/20 0.41
▸ ESR2 Q92731 1/20 0.41
▸ NR1H2 P55055 1/20 0.40
▸ MAPT P10636 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ EPHX2 P34913 2/20 0.40
▸ HRH2 P25021 1/20 0.39
▸ HRH1 P35367 1/20 0.39
▸ DAGLA Q9Y4D2 1/20 0.39

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
SCHEMBL15699606 0.87 ALDH1A1 (0.54) GPR119OGAGRM5ALDH1A1MAPT
SCHEMBL16113569 0.86 MAPT (0.54) GPR119GRM5ESR2NR1H2MAPT
SCHEMBL4635083 0.86 GRM5 (0.46) GPR119OGAGRM5ESR2NR1H2
SCHEMBL5497099 0.83 MEN1 (0.55) GRM5ALDH1A1ESR2NR1H2
SCHEMBL1870570 0.83 NR1H2 (0.54) GPR119GRM5ALDH1A1ESR2NR1H2
SCHEMBL14720896 0.83 GRM5 (0.46) GPR119GRM5ALDH1A1ESR2NR1H2
SCHEMBL1473227 0.83 GPR119 (0.51) GPR119GRM5ESR2NR1H2KDM4E
SCHEMBL1602307 0.82 OGA (0.46) GPR119OGAGRM5PIM1ALDH1A1
SCHEMBL20304919 0.82 SRD5A2 (0.55) GPR119OGAGRM5ESR2NR1H2
SCHEMBL28531490 0.82 MAPT (0.56) GPR119GRM5ESR2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9902712-B2 Nitrogenous heterocyclic derivatives and their application in drugs SUNSHINE LAKE PHARMA CO., LTD. (CN) 2018-02-27 — — US disclosed
EP-3083584-B1 NITROGENOUS HETEROCYCLIC DERIVATIVES AND THEIR APPLICATION IN THE TREATMENT OF TISSUE FIBROSIS SUNSHINE LAKE PHARMA CO LTD (CN) 2018-02-21 — — EP disclosed
CN-104725356-B Nitrogen heterocyclic derivatives and application thereof in medicine 广东东阳光药业有限公司 2017-02-22 — — CN disclosed
US-20160355501-A1 NITROGENOUS HETEROCYCLIC DERIVATIVES AND THEIR APPLICATION IN DRUGS SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-12-08 — — US disclosed
CN-104725356-A Nitrogen heterocyclic derivatives and application thereof in medicine GUANGDONG HEC PHARMACEUTICAL 2015-06-24 — — CN 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 (1 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-20160355501-A1 NITROGENOUS HETEROCYCLIC DERIVATIVES AND THEIR APPLICATION IN DRUGS TNNC1, IAPP, TNNI3 GPR119 331/4885LIPE 3517/4885OGA 68/4885

“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.

Send feedback