SCHEMBL3414513

SCHEMBL3414513

O=CCc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
EPHX1 P07099 2/20 0.45
GPR84 Q9NQS5 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
EPHX2 P34913 2/20 0.44
DAO P14920 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
SLC6A4 P31645 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
CHRM5 P08912 1/20 0.42
SCN9A Q15858 1/20 0.41
MAOB P27338 1/20 0.41
AOC3 Q16853 1/20 0.41
MAPT P10636 1/20 0.40
PIM1 P11309 1/20 0.40

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
SCHEMBL5560891 0.89 MRGPRX4 (0.50) GPR84MAOB
SCHEMBL5208161 0.85 HDAC1 (0.55) EPHX2CA12CA1CA2NR1H4
SCHEMBL584633 0.82 GPR84 (0.49) BCHEACHEEPHX1GPR84ALDH1A1
SCHEMBL27659046 0.82 ALDH1A1 (0.44) BCHEACHEEPHX1GPR84ALDH1A1
SCHEMBL5537176 0.80 GPR84 (0.47) BCHEACHEGPR84ALDH1A1TSHR
SCHEMBL9607433 0.79 ALDH1A1 (0.49) BCHEACHEGPR84ALDH1A1TSHR
SCHEMBL351974 0.79 GPR84 (0.46) BCHEACHEEPHX1GPR84ALDH1A1
SCHEMBL1005875 0.78 ALDH1A1 (0.47) BCHEACHEEPHX1GPR84ALDH1A1
SCHEMBL1352897 0.78 ALDH1A1 (0.47) BCHEACHEEPHX1GPR84ALDH1A1
SCHEMBL5536523 0.78 GPR84 (0.46) BCHEACHEGPR84ALDH1A1TSHR

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 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1421071-B1 SUBSTITUTED PIPERAZINE AND DIAZEPANE DERIVAIVES AS HISTAMINE H3 RECEPTOR MODULATORS HIGH POINT PHARMACEUTICALS LLC (US) 2009-11-18 EP claimed
US-20060142262-A1 Fused-aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. 2006-06-29 US claimed
CN-110143932-B Piperazinone derivatives, process for producing the same, inhibitor, and method for controlling root-parasitic weeds 南开大学 2022-09-16 CN disclosed
US-10221182-B2 3,3-difluoro-piperidine derivatives as NR2B NMDA receptor antagonists RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2019-03-05 US disclosed
US-10221182-B2 3,3-difluoro-piperidine derivatives as NR2B NMDA receptor antagonists RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2019-03-05 US disclosed
US-10017508-B2 Nitrogenated heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-07-10 US disclosed
US-20180093981-A1 2-Acylaminopropoanol-Type Glucosylceramide Synthase Inhibitors GENZYME CORPORATION 2018-04-05 US disclosed
EP-2848618-B1 NITROGENATED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2018-03-14 EP disclosed
EP-3283459-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO Dow Agrosciences LLC (US) 2018-02-21 EP disclosed
US-20180030055-A1 3,3-DIFLUORO-PIPERIDINE DERIVATIVES AS NR2B NMDA RECEPTOR ANTAGONISTS RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2018-02-01 US disclosed
US-20180030055-A1 3,3-DIFLUORO-PIPERIDINE DERIVATIVES AS NR2B NMDA RECEPTOR ANTAGONISTS RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2018-02-01 US disclosed
EP-1670794-A2 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS Amgen Inc. (US) 2006-06-21 EP disclosed
WO-2005121119-A1 HYDROXAMATES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2005-12-22 WO disclosed
WO-2005105754-A1 PYRAZOLE PHENYL DERIVATIVES AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-11-10 WO disclosed
WO-2005085235-A1 PYRAZOLYL INDOLYL DERIVATIVES AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-15 WO disclosed
WO-2005049606-A1 HETEROARYL DERIVATIVES AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-06-02 WO disclosed
WO-2005049573-A1 PHENYL DERIVATIVES AS PPAR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-06-02 WO disclosed
WO-2005033105-A2 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2005-04-14 WO disclosed
US-20050080113-A1 Medicinal compositions TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-14 US disclosed
US-4920232-A CHEMICAL INTERMEDIATES BASF AKTIENGESELLSCHAFT (DE) 1990-04-24 US 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 (6 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-20060142262-A1 Fused-aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto CYP7A1, CYP27A1, CYP4F3 BCHE 681/4885ACHE 1803/4885EPHX1 500/4885
US-20050080113-A1 Medicinal compositions TNF, TRAF6, MMP8 BCHE 3783/4885ACHE 1150/4885EPHX1 674/4885
US-20180030055-A1 3,3-DIFLUORO-PIPERIDINE DERIVATIVES AS NR2B NMDA RECEPTOR ANTAGONISTS GRIN3A, GRIN1, GRIN2A BCHE 2703/4885ACHE 1173/4885EPHX1 2271/4885
US-10221182-B2 3,3-difluoro-piperidine derivatives as NR2B NMDA receptor antagonists GRIN3A, GRIN1, GRIN2A BCHE 2703/4885ACHE 1173/4885EPHX1 2271/4885
US-20180093981-A1 2-Acylaminopropoanol-Type Glucosylceramide Synthase Inhibitors ASAH2, GBA1, GAA BCHE 1312/4885ACHE 3192/4885EPHX1 1852/4885
US-10017508-B2 Nitrogenated heterocyclic compound PDE2A, PDE5A, PDE3A BCHE 198/4885ACHE 24/4885EPHX1 1515/4885

“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.