SCHEMBL8224315

SCHEMBL8224315

Cc1ccc(C=O)c(OC(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.41
NPSR1 Q6W5P4 2/20 0.40
ERN1 O75460 2/20 0.39
GPR3 P46089 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 2/20 0.37
GAA P10253 1/20 0.37
SRC P12931 1/20 0.37
ACHE P22303 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
HPGD P15428 1/20 0.34
KCNK3 O14649 1/20 0.34
KCNK9 Q9NPC2 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
CYP1A1 P04798 1/20 0.33
CYP1B1 Q16678 1/20 0.33
CYP2A6 P11509 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL21266933 0.86 ALDH1A1 (0.41) ALDH1A1NPSR1ERN1GPR3KDM4E
SCHEMBL28526096 0.84 ALDH1A1 (0.44) ALDH1A1NPSR1ERN1L3MBTL1KDM4E
SCHEMBL1220795 0.80 ALDH1A1 (0.40) ALDH1A1NPSR1ERN1GPR3L3MBTL1
SCHEMBL3718733 0.79 ALDH1A1 (0.69) ALDH1A1ERN1L3MBTL1KDM4EGAA
SCHEMBL7088703 0.79 TDP1 (0.50) ALDH1A1ERN1L3MBTL1MAOAMAOB
SCHEMBL207935 0.79 MAOA (0.52) ALDH1A1ERN1L3MBTL1MAOAMAOB
SCHEMBL29953626 0.79 ALDH1A1 (0.37) ALDH1A1NPSR1L3MBTL1KDM4EGAA
SCHEMBL15534680 0.79 APP (0.42) ALDH1A1ERN1L3MBTL1MAOAMAOB
SCHEMBL96209 0.77 ALDH1A1 (0.66) ALDH1A1NPSR1ERN1L3MBTL1KDM4E
SCHEMBL29951947 0.77 ALDH1A1 (0.66) ALDH1A1NPSR1ERN1L3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115335378-A Monoacylglycerol lipase modulators 詹森药业有限公司 2022-11-11 CN claimed
EP-3686198-B1 MU-OPIOID RECEPTOR AGONIST AND PREPARATION METHOD THEREFOR AND USE THEREOF IN FIELD OF MEDICINE SHANGHAI SYNERGY PHARMACEUTICAL SCIENCES CO LTD (CN) 2022-12-14 EP disclosed
CN-115403570-A Mu-opioid receptor agonist, preparation method thereof and application thereof in medicine field 上海华汇拓医药科技有限公司 2022-11-29 CN disclosed
CN-115335378-A Monoacylglycerol lipase modulators 詹森药业有限公司 2022-11-11 CN disclosed
CN-109516982-B Mu-opioid receptor agonist, preparation method thereof and application thereof in medicine field 上海华汇拓医药科技有限公司 2022-08-23 CN disclosed
US-11072601-B2 μ-opioid receptor agonist and preparation method therefor and use thereof in field of medicine SHANGHAI SYNERGY PHARMACEUTICAL SCIENCES CO., LTD. (CN) 2021-07-27 US disclosed
US-20200270230-A1 µ-OPIOID RECEPTOR AGONIST AND PREPARATION METHOD THEREFOR AND USE THEREOF IN FIELD OF MEDICINE ZHEJIANG HUAHAI PHARMACEUTICAL CO., LTD. (CN) 2020-08-27 US disclosed
EP-3686198-A1 mu-OPIOID RECEPTOR AGONIST AND PREPARATION METHOD THEREFOR AND USE THEREOF IN FIELD OF MEDICINE Shanghai Synergy Pharmaceutical Sciences Co., Ltd (CN) 2020-07-29 EP disclosed
WO-2007140934-A1 SUBSTITUTED 4-ARYL-1,4-DIHYDRO-1,6-NAPHTHYRIDINES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2007-12-13 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-11072601-B2 μ-opioid receptor agonist and preparation method therefor and use thereof in field of medicine OPRM1, OPRD1, OPRK1 ALDH1A1 2383/4885NPSR1 52/4885ERN1 3679/4885
US-20200270230-A1 µ-OPIOID RECEPTOR AGONIST AND PREPARATION METHOD THEREFOR AND USE THEREOF IN FIELD OF MEDICINE OPRM1, OPRD1, OPRK1 ALDH1A1 2316/4885NPSR1 49/4885ERN1 3731/4885

“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.