SCHEMBL18280141

SCHEMBL18280141

CC(C)(C)OC(=O)N1CCC(=Cc2cc(C(F)(F)F)ccc2C(F)(F)F)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
GPR119 Q8TDV5 6/20 0.44
ENPP2 Q13822 1/20 0.44
CYP26A1 O43174 1/20 0.43
CYP24A1 Q07973 1/20 0.43
STS P08842 1/20 0.42
GRM5 P41594 1/20 0.41
SFRP1 Q8N474 2/20 0.41
ESR2 Q92731 1/20 0.41
TACR1 P25103 1/20 0.41
TGFBR1 P36897 1/20 0.41
NR1H2 P55055 1/20 0.40
EPHX2 P34913 1/20 0.40
JAK2 O60674 1/20 0.39
JAK3 P52333 1/20 0.39
PTK2 Q05397 1/20 0.39
P2RY14 Q15391 1/20 0.38

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
SCHEMBL23148980 0.91 MAPT (0.47) MAPTGPR119ENPP2STSGRM5
SCHEMBL29849674 0.91 MAPT (0.47) MAPTGPR119ENPP2STSGRM5
SCHEMBL21723096 0.85 MAPT (0.47) MAPTGPR119ENPP2STSGRM5
SCHEMBL4259286 0.84 GRM5 (0.46) MAPTGPR119GRM5SFRP1ESR2
SCHEMBL21723022 0.83 MAPT (0.47) MAPTGPR119ENPP2STSGRM5
SCHEMBL16113569 0.83 MAPT (0.54) MAPTGPR119ENPP2STSGRM5
SCHEMBL21723101 0.82 MAPT (0.44) MAPTGPR119ENPP2STSGRM5
SCHEMBL18280177 0.81 GRM5 (0.46) MAPTGPR119STSGRM5ESR2
SCHEMBL21722890 0.81 MAPT (0.45) MAPTGPR119ENPP2STSGRM5
SCHEMBL30272600 0.81 MAPT (0.45) MAPTGPR119ENPP2STSGRM5

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 MAPT 911/4885GPR119 331/4885ENPP2 651/4885

“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.