SCHEMBL4070737

SCHEMBL4070737

FC(F)(F)Oc1ccc(-c2[c]cccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.40
KIF11 P52732 3/20 0.38
NISCH Q9Y2I1 1/20 0.38
SCN5A Q14524 4/20 0.38
ACP1 P24666 1/20 0.37
SERPINE1 P05121 1/20 0.37
MAPT P10636 2/20 0.36
EPHX2 P34913 1/20 0.36
ATP1A1 P05023 1/20 0.36
ATP1B1 P05026 1/20 0.36
ATP1A3 P13637 1/20 0.36
ATP1B2 P14415 1/20 0.36
ATP1A2 P50993 1/20 0.36
ATP1B3 P54709 1/20 0.36
FXYD2 P54710 1/20 0.36
ATP1A4 Q13733 1/20 0.36
GPR3 P46089 1/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36

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
SCHEMBL3963461 0.82 RIPK1 (0.39) KIF11SLC6A4SLC6A2SLC6A3MEN1
SCHEMBL4078067 0.81 GRM5 (0.41) KIF11
SCHEMBL592654 0.76 CA4 (0.44) MAPTHTTRAB9A
SCHEMBL360859 0.76 LTA4H (0.48) NISCHRAB9A
SCHEMBL145647 0.76 KIF11 (0.54) NOTUMKIF11MEN1KMT2A
SCHEMBL4293777 0.75 SLC6A4 (0.42) KIF11MAPTEPHX2GPR3SLC6A4
SCHEMBL28433765 0.75 METAP2 (0.36) NOTUMKIF11ACP1SERPINE1MAPT
SCHEMBL3540667 0.75 GPR3 (0.45) NOTUMKIF11NISCHSCN5AMAPT
SCHEMBL306823 0.74 KIF11 (0.50) KIF11NISCHSCN5AACP1SERPINE1
SCHEMBL18293362 0.74 KIF11 (0.50) KIF11NISCHSCN5AACP1SERPINE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7105538-B2 2-pyrrolidin-2-yl-[1,3,4]-oxadiazole compounds and their use as anti-depressants GRUENENTHAL GMBH (DE) 2006-09-12 US claimed
US-20050187260-A1 2-Pyrrolidin-2-yl-[1,3,4]-oxadiazole compounds and their use as anti-depressants GRUENENTHAL GMBH (DE) 2005-08-25 US claimed
CN-111406059-B Europium complexes 东曹株式会社 2023-04-18 CN disclosed
CN-109476629-B Urea and thiourea substituted bicyclic derivatives as pesticides 先正达参股股份有限公司 2022-04-15 CN disclosed
US-10988494-B2 Europium complex TOSOH CORPORATION (JP) 2021-04-27 US disclosed
US-20200354389-A1 EUROPIUM COMPLEX SAGAMI CHEMICAL RESEARCH INSTITUTE (JP) 2020-11-12 US disclosed
CN-111406059-A Europium complexes 东曹株式会社 2020-07-10 CN disclosed
US-7595315-B2 Morpholine derivatives as norepinephrine reuptake inhibitors ELI LILLY AND COMPANY (US) 2009-09-29 US disclosed
EP-1716126-B1 MORPHOLINE DERIVATIVES AS NOREPINEPHRINE REUPTAKE INHIBITORS LILLY CO ELI (US) 2009-02-25 EP disclosed
US-20070060585-A1 Morpholine derivatives as norepinephrine reuptake inhibitors ELI LILLY AND COMPANY 2007-03-15 US disclosed
EP-1418916-A1 2-AMINO-4-HETEROARYLAMINOPYRIMIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER Amgen Inc. (US) 2004-05-19 EP disclosed
WO-2003018022-A1 2-AMINO-4-HETEROARYLAMINOPYRIMIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER AMGEN INC. (US) 2003-03-06 WO disclosed
EP-1051394-A1 POTASSIUM CHANNEL INHIBITORS Icagen, Inc. (US) 2000-11-15 EP disclosed
WO-1999037607-A1 POTASSIUM CHANNEL INHIBITORS ICAGEN, INC. (US) 1999-07-29 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 (4 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-20050187260-A1 2-Pyrrolidin-2-yl-[1,3,4]-oxadiazole compounds and their use as anti-depressants OPRD1, OPRK1, GRIN2C NOTUM 3753/4885KIF11 2227/4885NISCH 2337/4885
US-20070060585-A1 Morpholine derivatives as norepinephrine reuptake inhibitors SLC6A2, SLC18A2, SLC6A3 NOTUM 2373/4885KIF11 3129/4885NISCH 87/4885
US-10988494-B2 Europium complex SSB, XPA, UACA NOTUM 3538/4885KIF11 2421/4885NISCH 4522/4885
US-20200354389-A1 EUROPIUM COMPLEX SSB, XPA, UACA NOTUM 3538/4885KIF11 2421/4885NISCH 4522/4885

“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.