SCHEMBL14729556

SCHEMBL14729556

Nc1ccc(C2CCOCC2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.41
▸ RORC P51449 1/20 0.39
▸ PRKAB2 O43741 2/20 0.39
▸ PRKAG1 P54619 2/20 0.39
▸ PRKAA2 P54646 2/20 0.39
▸ PRKAA1 Q13131 2/20 0.39
▸ PRKAG3 Q9UGI9 2/20 0.39
▸ PRKAG2 Q9UGJ0 2/20 0.39
▸ PRKAB1 Q9Y478 2/20 0.39
▸ MAPK1 P28482 2/20 0.37
▸ HDAC1 Q13547 4/20 0.37
▸ HDAC2 Q92769 4/20 0.37
▸ HDAC3 O15379 2/20 0.37
▸ HTR1D P28221 1/20 0.36
▸ MAOA P21397 1/20 0.36
▸ IKBKE Q14164 1/20 0.36
▸ TBK1 Q9UHD2 1/20 0.36
▸ DHFR P00374 1/20 0.35
▸ DAO P14920 1/20 0.35
▸ RPS6KA3 P51812 1/20 0.35

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
SCHEMBL239439 0.87 ALDH1A1 (0.48) ALDH1A1HDAC1HDAC2HDAC3CA12
SCHEMBL24196216 0.86 PRKAB2 (0.39) RORCPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL30432645 0.83 HTR1D (0.38) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL30868485 0.83 ALDH1A1 (0.45) ALDH1A1HDAC1HDAC2HDAC3HTR1D
SCHEMBL1971575 0.83 ALDH1A1 (0.45) ALDH1A1HDAC1HDAC2HDAC3HTR1D
SCHEMBL15157184 0.83 HTR1D (0.38) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL27543160 0.81 BACE1 (0.47) ALDH1A1HDAC1HDAC2HDAC3HTR1D
SCHEMBL27214497 0.81 ALDH1A1 (0.43) ALDH1A1HDAC1HDAC2HDAC3CA12
SCHEMBL17374756 0.79 ALDH1A1 (0.41) ALDH1A1RORCHDAC1HDAC2HDAC3
SCHEMBL17282329 0.79 RORC (0.42) RORCPRKAB2PRKAG1PRKAA2PRKAA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022011274-A1 SUBSTITUTED 1,6-NAPHTHYRIDINE INHIBITORS OF CDK5 GOLDFINCH BIO, INC. (US) 2022-01-13 — — WO disclosed
EP-2748158-B1 RADIOLABELED COMPOUNDS AND THEIR USE AS RADIOTRACERS FOR QUANTITATIVE IMAGING OF PHOSPHODIESTERASE (PDE10A) IN MAMMALS TAKEDA PHARMACEUTICALS CO (JP) 2018-01-24 — — EP disclosed
EP-2748158-B1 RADIOLABELED COMPOUNDS AND THEIR USE AS RADIOTRACERS FOR QUANTITATIVE IMAGING OF PHOSPHODIESTERASE (PDE10A) IN MAMMALS TAKEDA PHARMACEUTICALS CO (JP) 2018-01-24 — — EP disclosed
US-9579407-B2 Radiolabeled compounds and their use as radiotracers for quantitative imaging of phosphodiesterase (PDE10A) in mammals TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-02-28 — — US disclosed
US-9579407-B2 Radiolabeled compounds and their use as radiotracers for quantitative imaging of phosphodiesterase (PDE10A) in mammals TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-02-28 — — US disclosed
US-9579407-B2 Radiolabeled compounds and their use as radiotracers for quantitative imaging of phosphodiesterase (PDE10A) in mammals TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-02-28 — — US disclosed
US-20140178304-A1 RADIOLABELED COMPOUNDS AND THEIR USE AS RADIOTRACERS FOR QUANTITATIVE IMAGING OF PHOSPHODIESTERASE (PDE10A) IN MAMMALS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-06-26 — — US disclosed
US-20140178304-A1 RADIOLABELED COMPOUNDS AND THEIR USE AS RADIOTRACERS FOR QUANTITATIVE IMAGING OF PHOSPHODIESTERASE (PDE10A) IN MAMMALS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-06-26 — — US disclosed
US-20140178304-A1 RADIOLABELED COMPOUNDS AND THEIR USE AS RADIOTRACERS FOR QUANTITATIVE IMAGING OF PHOSPHODIESTERASE (PDE10A) IN MAMMALS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-06-26 — — US disclosed
WO-2013027845-A1 RADIOLABELED COMPOUNDS AND THEIR USE AS RADIOTRACERS FOR QUANTITATIVE IMAGING OF PHOSPHODIESTERASE (PDE10A) IN MAMMALS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-02-28 — — 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 (1 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-20140178304-A1 RADIOLABELED COMPOUNDS AND THEIR USE AS RADIOTRACERS FOR QUANTITATIVE IMAGING OF PHOSPHODIESTERASE (PDE10A) IN MAMMALS PDE5A, PDE3B, PDE3A ALDH1A1 328/4885RORC 1986/4885PRKAB2 800/4885

“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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