SCHEMBL1069573

SCHEMBL1069573

COc1[c]ccc(OC(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 5/20 0.38
ALPL P05186 3/20 0.34
CHRM5 P08912 3/20 0.33
KIF11 P52732 1/20 0.33
RUNX1 Q01196 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
CES1 P23141 1/20 0.33
PDE2A O00408 1/20 0.32
GMNN O75496 1/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
GAA P10253 1/20 0.32
CYP2C9 P11712 1/20 0.32
PKM P14618 1/20 0.32
ALOX15 P16050 1/20 0.32

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
SCHEMBL622940 0.86 GPR3 (0.41) GPR3CHRM5KIF11NPC1RAB9A
SCHEMBL1066850 0.85 NPC1 (0.35) CHRM5NPC1RAB9A
SCHEMBL8124892 0.85 CHRM5 (0.38) GPR3CHRM5RUNX1NPC1RAB9A
SCHEMBL7420861 0.83 KIF11 (0.34) KIF11
SCHEMBL15352618 0.81 L3MBTL1 (0.40) GPR3PDE2ALMNA
SCHEMBL15352801 0.81 PDE2A (0.35) GPR3KIF11CES1PDE2ASLC6A2
SCHEMBL1068998 0.80 GPR3 (0.37) GPR3KIF11NPC1RAB9ACES1
SCHEMBL77754 0.80 CA1 (0.39) CES1CYP1A2CYP3A4GAABLM
SCHEMBL1068538 0.78 POLB (0.36) NPC1RAB9ALMNAPKMALOX15
SCHEMBL17046284 0.77 ALDH1A1 (0.41) GPR3RAB9AUSP2LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11712438-B2 Phenyl derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2023-08-01 US claimed
EP-3625222-B1 PHENYL DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-07-21 EP claimed
US-20200179383-A1 PHENYL DERIVATIVES AS PGE2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2020-06-11 US claimed
EP-3625222-A1 PHENYL DERIVATIVES AS PGE2 RECEPTOR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2020-03-25 EP claimed
CN-110612296-A Phenyl derivatives as PGE2 receptor modulators 爱杜西亚药品有限公司 2019-12-24 CN claimed
WO-2018210994-A1 PHENYL DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2018-11-22 WO claimed
US-20150011559-A1 ANTIMICROBIAL AGENTS TAXIS PHARMACEUTICALS, INC. 2015-01-08 US claimed
WO-2013106761-A2 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2013-07-18 WO claimed
US-20080312271-A1 AZABENZIMIDAZOLYL COMPOUNDS PFIZER INC. 2008-12-18 US claimed
US-20080280933-A1 BENZIMIDAZOLYL COMPOUNDS EFREMOV IVAN 2008-11-13 US claimed
WO-2008012623-A1 BENZIMIDAZOLYL COMPOUNDS AS POTENTIATORS OF MGLUR2 SUBTYPE OF GLUTAMATE RECEPTOR PFIZER PRODUCTS INC. (US) 2008-01-31 WO claimed
WO-2008012622-A2 AZABENZIMIDAZOLYL COMPOUNDS AS POTENTIATORS OF MGLUR2 SUBTYPE OF GLUTAMATE RECEPTOR PFIZER PRODUCTS INC. (US) 2008-01-31 WO claimed
EP-1194417-A1 PHENOXY FLUOROPYRIMIDINES BAYER AG (DE) 2002-04-10 EP claimed
WO-2000078733-A1 PHENOXY FLUOROPYRIMIDINES BAYER AKTIENGESELLSCHAFT (DE) 2000-12-28 WO claimed
CN-113272285-B Oxadiazole-containing compound and pharmaceutical composition containing same 爱思开生物制药株式会社 2024-06-07 CN disclosed
US-11712438-B2 Phenyl derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2023-08-01 US disclosed
EP-3625222-B1 PHENYL DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-07-21 EP disclosed
WO-2002096421-A1 5-SUBSTITUTED-2-ARYLPYRIDINES AS CRF1 MODULATORS NEUROGEN CORPORATION (US) 2002-12-05 WO disclosed
EP-1194417-A1 PHENOXY FLUOROPYRIMIDINES BAYER AG (DE) 2002-04-10 EP disclosed
WO-2000078733-A1 PHENOXY FLUOROPYRIMIDINES BAYER AKTIENGESELLSCHAFT (DE) 2000-12-28 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 (5 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-11712438-B2 Phenyl derivatives as PGE2 receptor modulators PTGER1, PTGER4, PTGER2 GPR3 59/4885ALPL 4846/4885CHRM5 723/4885
US-20150011559-A1 ANTIMICROBIAL AGENTS CFTR, MPO, ATF1 GPR3 4804/4885ALPL 1470/4885CHRM5 4706/4885
US-20080280933-A1 BENZIMIDAZOLYL COMPOUNDS PAICS, TMBIM6, ABCG2 GPR3 3876/4885ALPL 229/4885CHRM5 1918/4885
US-20200179383-A1 PHENYL DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER1, PTGER4, PTGER2 GPR3 58/4885ALPL 4842/4885CHRM5 764/4885
US-20080312271-A1 AZABENZIMIDAZOLYL COMPOUNDS AZI2, PAICS, UGT2B7 GPR3 4181/4885ALPL 160/4885CHRM5 1311/4885

“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.