SCHEMBL559552

SCHEMBL559552

[CH2]c1ccc(F)c(C#N)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 2/20 0.43
▸ ABCG2 Q9UNQ0 1/20 0.39
▸ AR P10275 1/20 0.38
▸ GRM4 Q14833 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ PTP4A3 O75365 1/20 0.36
▸ CYP11B1 P15538 3/20 0.35
▸ CYP11B2 P19099 3/20 0.35
▸ PGR P06401 4/20 0.35
▸ ACLY P53396 1/20 0.33
▸ FLT3 P36888 1/20 0.33
▸ KHK P50053 1/20 0.33
▸ TRPV3 Q8NET8 1/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ ESR2 Q92731 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
SCHEMBL518869 0.82 TRPV4 (0.57) TRPV4CYP11B1CYP11B2
SCHEMBL2639309 0.78 MAOB (0.42) TRPV4
SCHEMBL74807 0.76 TRPV4 (0.46) TRPV4ARGRM4CNR2PTP4A3
SCHEMBL4824074 0.76 TRPV4 (0.31) TRPV4
SCHEMBL27274265 0.76 MAOB (0.44) TRPV4ARGRM4CNR2PGR
SCHEMBL29998893 0.74 CYP2A6 (0.46) TRPV4ARGRM4CYP11B1CYP11B2
SCHEMBL924361 0.74 TRPV4 (0.45) TRPV4ARGRM4CNR2PTP4A3
SCHEMBL481131 0.74 CYP2A6 (0.46) TRPV4ARGRM4CYP11B1CYP11B2
SCHEMBL16961256 0.74 TRPV4 (0.41) TRPV4ABCG2ARGRM4CNR2
SCHEMBL16555923 0.73 TRPV4 (0.69) TRPV4ABCG2ARGRM4CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230129359-A1 MUSCARINIC RECEPTOR 4 ANTAGONISTS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. 2023-04-27 — — US claimed
EP-4100410-A1 MUSCARINIC RECEPTOR 4 ANTAGONISTS AND METHODS OF USE Neurocrine Biosciences, Inc. (US) 2022-12-14 — — EP claimed
CN-115362156-A Muscarinic receptor 4 antagonists and methods of use 纽罗克里生物科学有限公司 2022-11-18 — — CN claimed
EP-3692101-B1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES ALFA INSTR S R L (IT) 2022-01-12 — — EP claimed
WO-2021158698-A1 MUSCARINIC RECEPTOR 4 ANTAGONISTS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. (US) 2021-08-12 — — WO claimed
EP-3692101-A1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES Alfa Instruments S.r.l. (IT) 2020-08-12 — — EP claimed
WO-2019068935-A1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES ALFA INSTRUMENTS S.R.L. (IT) 2019-04-11 — — WO claimed
EP-2119717-B1 8-[3-amino-piperidin-1-yl]-xanthins, their production and utilisation as DPP IV inhibitors BOEHRINGER INGELHEIM INT (DE) 2018-01-17 — — EP claimed
US-8697868-B2 8-[3-amino-piperidin-1-yl]-xanthines, their preparation and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-04-15 — — US claimed
JP-4733058-B2 — — 2011-07-27 — — JP claimed
EP-2119717-A1 8-[3-amino-piperidin-1-yl]-xanthins, their production and utilisation as DPP IV inhibitors Boehringer Ingelheim International GmbH (DE) 2009-11-18 — — EP claimed
US-20090137801-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-28 — — US claimed
EP-1758905-B1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINE, THE PRODUCTION THEREOF AND THE USE IN THE FORM OF A DDP-IV INHIBITOR BOEHRINGER INGELHEIM INT (DE) 2009-04-29 — — EP claimed
EP-2049484-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS AstraZeneca AB (SE) 2009-04-22 — — EP claimed
US-7501426-B2 8-[3-amino-piperidin-1-yl]-xanthines, their preparation and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-10 — — US claimed
WO-2008008022-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS ASTRAZENECA AB (SE) 2008-01-17 — — WO claimed
US-20080015237-A1 NEW COMPOUNDS I/418 ASTRAZENECA AB (SE) 2008-01-17 — — US claimed
EP-1758905-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINE, THE PRODUCTION THEREOF AND THE USE IN THE FORM OF A DDP-IV INHIBITOR Boehringer Ingelheim International GmbH (DE) 2007-03-07 — — EP claimed
US-20050234108-A1 8-[3-amino-piperidin-1-yl]-xanthines, their preparation and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-20 — — US claimed
WO-2005085246-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINE, THE PRODUCTION THEREOF AND THE USE IN THE FORM OF A DPP INHIBITOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-15 — — WO claimed

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-20090137801-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP7 TRPV4 1113/4885ABCG2 134/4885AR 3000/4885
US-20080015237-A1 NEW COMPOUNDS I/418 KCNH1, KCNH2, KCNH3 TRPV4 535/4885ABCG2 660/4885AR 3330/4885
US-20230129359-A1 MUSCARINIC RECEPTOR 4 ANTAGONISTS AND METHODS OF USE CHRM4, CHRM2, CHRM5 TRPV4 133/4885ABCG2 670/4885AR 1161/4885
US-20050234108-A1 8-[3-amino-piperidin-1-yl]-xanthines, their preparation and their use as pharmaceutical compositions DPP8, DPP4, DPP7 TRPV4 1161/4885ABCG2 109/4885AR 2962/4885

“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.

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