SCHEMBL1869446

SCHEMBL1869446

CCOC(=O)Cc1cccc(OC(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
F10 P00742 1/20 0.48
VNN1 O95497 1/20 0.47
PPARG P37231 2/20 0.47
PPARA Q07869 2/20 0.47
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
MAPK14 Q16539 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
CETP P11597 1/20 0.45
TSHR P16473 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CNR1 P21554 1/20 0.44
ROCK2 O75116 1/20 0.44
ROCK1 Q13464 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.43
DAO P14920 1/20 0.43

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
SCHEMBL5726190 0.91 MAPK14 (0.48) POLBF10VNN1PPARGPPARA
SCHEMBL5726465 0.86 NR3C1 (0.48) F10MAPTCETP
SCHEMBL3939774 0.86 PPARA (0.51) POLBPPARGPPARACHRM2CHRM1
SCHEMBL378549 0.85 VNN1 (0.52) VNN1CHRM2CHRM1CHRM3MAPK14
SCHEMBL15818398 0.84 PPARA (0.55) POLBPPARGPPARACHRM2CHRM1
SCHEMBL25398228 0.84 VNN1 (0.44) POLBVNN1PPARGPPARACHRM2
SCHEMBL11376639 0.83 F10 (0.47) POLBF10PPARGPPARAMAPK1
SCHEMBL27772416 0.83 VNN1 (0.50) VNN1CHRM2CHRM1CHRM3MAPK14
SCHEMBL5725785 0.82 POLB (0.51) POLBPPARGPPARAMAPK14MAPT
SCHEMBL9710054 0.82 F10 (0.46) POLBF10PPARGPPARAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250034143-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, LLC (US) 2025-01-30 US disclosed
US-11958854-B2 Substituted xanthines and methods of use thereof HYDRA BIOSCIENCES, LLC (US) 2024-04-16 US disclosed
US-20230040259-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, LLC (US) 2023-02-09 US disclosed
US-11208409-B2 Substituted xanthines and methods of use thereof HYDRA BIOSCIENCES, LLC (US) 2021-12-28 US disclosed
US-20190322667-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-10-24 US disclosed
US-10399982-B2 Substituted xanthines and methods of use thereof HYDRA BIOSCIENCES, INC. (US) 2019-09-03 US disclosed
US-20180244674-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-08-30 US disclosed
EP-2970303-B3 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES INC (US) 2018-08-01 EP disclosed
US-9969736-B2 Substituted xanthines and methods of use thereof HYDRA BIOSCIENCES, INC. (US) 2018-05-15 US disclosed
US-9969736-B2 Substituted xanthines and methods of use thereof HYDRA BIOSCIENCES, INC. (US) 2018-05-15 US disclosed
WO-2014143799-A2 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. (US) 2014-09-18 WO disclosed
US-20140275071-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. (US) 2014-09-18 US disclosed
US-8404708-B2 Dual NK1/NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2013-03-26 US disclosed
US-20110178055-A1 DUAL NK1/NK3 RECEPTOR ANTAGONISTS HOFFMANN TORSTEN 2011-07-21 US disclosed
US-7939533-B2 Dual NK1/NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2011-05-10 US disclosed
US-20090137806-A1 DUAL NK1/NK3 RECEPTOR ANTAGONISTS HOFFMANN TORSTEN 2009-05-28 US disclosed
EP-1643998-B1 DUAL NK1/NK3 ANTAGONISTS FOR TREATING SCHIZOPHRENIA HOFFMANN LA ROCHE (CH) 2007-08-29 EP disclosed
EP-1643998-A1 DUAL NK1/NK3 ANTAGONISTS FOR TREATING SCHIZOPHRENIA F. HOFFMANN-LA ROCHE AG (CH) 2006-04-12 EP disclosed
US-20050090533-A1 Dual NK1/NK3 receptor antagonists F. HOFMANN-LA ROCHE AG (CH) 2005-04-28 US disclosed
WO-2005002577-A1 DUAL NK1/NK3 ANTAGONISTS FOR TREATING SCHIZOPHRENIA F. HOFFMANN-LA ROCHE AG (CH) 2005-01-13 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 (11 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-20050090533-A1 Dual NK1/NK3 receptor antagonists TACR2, TAC3, TACR1 POLB 4554/4885F10 2676/4885VNN1 3169/4885
US-20110178055-A1 DUAL NK1/NK3 RECEPTOR ANTAGONISTS TACR2, TAC3, TACR1 POLB 4554/4885F10 2676/4885VNN1 3169/4885
US-11958854-B2 Substituted xanthines and methods of use thereof TRPC5, TRPC7, TRPC4 POLB 3162/4885F10 3465/4885VNN1 1511/4885
US-20180244674-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 POLB 3162/4885F10 3465/4885VNN1 1511/4885
US-20230040259-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 POLB 3162/4885F10 3465/4885VNN1 1511/4885
US-20250034143-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 POLB 3162/4885F10 3465/4885VNN1 1511/4885
US-20140275071-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 POLB 3162/4885F10 3465/4885VNN1 1511/4885
US-10399982-B2 Substituted xanthines and methods of use thereof TRPC5, TRPC7, TRPC4 POLB 3162/4885F10 3465/4885VNN1 1511/4885
US-20090137806-A1 DUAL NK1/NK3 RECEPTOR ANTAGONISTS TACR2, TAC3, TACR1 POLB 4554/4885F10 2676/4885VNN1 3169/4885
US-11208409-B2 Substituted xanthines and methods of use thereof TRPC5, TRPC7, TRPC4 POLB 3162/4885F10 3465/4885VNN1 1511/4885
US-20190322667-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 POLB 3162/4885F10 3465/4885VNN1 1511/4885

“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.