SCHEMBL17199129

SCHEMBL17199129

CCn1c(-c2ccc(C(F)(F)F)cc2)cc2cc(N)ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.45
GRIK2 Q13002 1/20 0.45
KIF11 P52732 2/20 0.44
PTGES O14684 2/20 0.42
KDM4E B2RXH2 6/20 0.40
RAD52 P43351 1/20 0.40
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
GFER P55789 1/20 0.39
NR1I2 O75469 1/20 0.39
TDP1 Q9NUW8 3/20 0.38
HPGD P15428 2/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
HBB P68871 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HEXA P06865 1/20 0.37

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
SCHEMBL22694746 0.91 GRIK1 (0.44) GRIK1GRIK2KIF11PTGESKDM4E
SCHEMBL17199125 0.86 GRIK1 (0.45) GRIK1GRIK2KDM4ERAD52ALDH1A1
SCHEMBL18470541 0.85 GRIK1 (0.46) GRIK1GRIK2KIF11PTGESMAPT
SCHEMBL17199131 0.85 CACNA1B (0.47) GRIK1GRIK2KIF11PTGESKDM4E
SCHEMBL2419891 0.85 GRIK1 (0.48) GRIK1GRIK2PTGESKDM4ERAD52
SCHEMBL22694522 0.83 GRIK1 (0.49) GRIK1GRIK2KDM4ERAD52ALDH1A1
SCHEMBL17199121 0.82 KIF11 (0.47) KIF11PTGESMAPK1KMT2ATLR8
SCHEMBL17199140 0.82 GRIK1 (0.48) GRIK1GRIK2PTGESKDM4ERAD52
SCHEMBL2421447 0.81 GRIK1 (0.65) GRIK1GRIK2KDM4ERAD52ALDH1A1
SCHEMBL11686466 0.81 GRIK1 (0.60) GRIK1GRIK2KIF11PTGESALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3133068-B1 AMIDE DERIVATIVES AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREFOR AND MEDICINAL APPLICATION THEREOF Shanghai hengrui pharmaceutical co ltd (CN) 2020-11-25 EP disclosed
EP-3133068-B1 AMIDE DERIVATIVES AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREFOR AND MEDICINAL APPLICATION THEREOF Shanghai hengrui pharmaceutical co ltd (CN) 2020-11-25 EP disclosed
US-10081629-B2 Amide derivatives and pharmaceutically acceptable salts thereof, preparation method thereof and medicinal application thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2018-09-25 US disclosed
CN-105636951-B Amide derivatives and its officinal salt, its preparation method and its application in medicine 上海恒瑞医药有限公司 2018-05-15 CN disclosed
EP-3133068-A1 AMIDE DERIVATIVES AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREFOR AND MEDICINAL APPLICATION THEREOF Shanghai Hengrui Pharmaceutical Co. Ltd. (CN) 2017-02-22 EP disclosed
EP-3133068-A1 AMIDE DERIVATIVES AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREFOR AND MEDICINAL APPLICATION THEREOF Shanghai Hengrui Pharmaceutical Co. Ltd. (CN) 2017-02-22 EP disclosed
US-20170037044-A1 AMIDE DERIVATIVES AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREOF AND MEDICINAL APPLICATION THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2017-02-09 US disclosed
US-20170037044-A1 AMIDE DERIVATIVES AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREOF AND MEDICINAL APPLICATION THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2017-02-09 US disclosed
US-20170037044-A1 AMIDE DERIVATIVES AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREOF AND MEDICINAL APPLICATION THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2017-02-09 US disclosed
CN-105636951-A Amide derivatives and pharmaceutically acceptable salts thereof, preparation method and medical application thereof Shanghai hengrui pharmaceutical co ltd 2016-06-01 CN disclosed
WO-2015158204-A1 AMIDE DERIVATIVES AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREFOR AND MEDICINAL APPLICATION THEREOF 上海恒瑞医药有限公司 2015-10-22 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-10081629-B2 Amide derivatives and pharmaceutically acceptable salts thereof, preparation method thereof and medicinal application thereof PTGES, PTGS1, PTGIS GRIK1 1667/4885GRIK2 2228/4885KIF11 4332/4885
US-20170037044-A1 AMIDE DERIVATIVES AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREOF AND MEDICINAL APPLICATION THEREOF PTGES, PTGS1, PTGIS GRIK1 1667/4885GRIK2 2228/4885KIF11 4332/4885

“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.