SCHEMBL137374

SCHEMBL137374

COC(=O)Cc1cc(O)cc(C(F)(F)F)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 1/20 0.69
LMNA P02545 1/20 0.44
ALDH1A1 P00352 3/20 0.43
GAA P10253 1/20 0.43
GFER P55789 1/20 0.43
HTT P42858 1/20 0.41
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
PDK2 Q15119 1/20 0.40
TACR1 P25103 4/20 0.40
IDO1 P14902 2/20 0.40
NOTUM Q6P988 1/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL1296063 0.90 HSP90AB1 (0.56) HSP90AB1LMNAALDH1A1GAAGFER
SCHEMBL137510 0.84 HSP90AB1 (0.47) HSP90AB1LMNAALDH1A1GAAHTT
SCHEMBL1295226 0.84 HSP90AB1 (0.50) HSP90AB1LMNAALDH1A1GAAGFER
SCHEMBL23531156 0.83 NOTUM (0.56) HSP90AB1LMNAALDH1A1GAAGFER
SCHEMBL5749601 0.83 HSP90AB1 (0.49) HSP90AB1LMNAALDH1A1GAAGFER
SCHEMBL478058 0.82 HSP90AB1 (1.00) HSP90AB1LMNAALDH1A1GAAGFER
SCHEMBL8151711 0.82 HSP90AB1 (0.92) HSP90AB1LMNAALDH1A1GAAGFER
SCHEMBL4494395 0.80 RXRA (0.56) LMNATACR1IDO1RXRARXRB
SCHEMBL5748815 0.79 HSP90AB1 (0.45) HSP90AB1LMNAALDH1A1HTTMEN1
SCHEMBL2984242 0.78 HSP90AB1 (0.76) HSP90AB1ALDH1A1GAAGFERCYP4F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10562897-B2 Substituted 3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,6-diones as gamma secretase modulators JANSSEN PHARMACEUTICA NV (BE) 2020-02-18 US disclosed
US-10246454-B2 Substituted 3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,6-diones as gamma secretase modulators JANSSEN PHARMACEUTICA NV (BE) 2019-04-02 US disclosed
US-20180319797-A1 NOVEL SUBSTITUTED PYRIDO-PIPERAZINONE DERIVATIVES AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-11-08 US disclosed
EP-2945944-B1 NOVEL SUBSTITUTED PYRIDO-PIPERAZINONE DERIVATIVES AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2016-11-09 EP disclosed
EP-2257524-B1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS BRICKELL BIOTECH INC (US) 2016-01-06 EP disclosed
EP-2257524-B1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS BRICKELL BIOTECH INC (US) 2016-01-06 EP disclosed
US-20150353544-A1 NOVEL SUBSTITUTED PYRIDO-PIPERAZINONE DERIVATIVES AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-12-10 US disclosed
EP-2945944-A1 NOVEL SUBSTITUTED PYRIDO-PIPERAZINONE DERIVATIVES AS GAMMA SECRETASE MODULATORS Janssen Pharmaceutica, N.V. (BE) 2015-11-25 EP disclosed
WO-2014111457-A1 NOVEL SUBSTITUTED PYRIDO-PIPERAZINONE DERIVATIVES AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-07-24 WO disclosed
US-20130158036-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PANMIRA PHARMACEUTICALS, LLC (US) 2013-06-20 US disclosed
US-20110039852-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-02-17 US disclosed
EP-2257524-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS Amira Pharmaceuticals, Inc. (US) 2010-12-08 EP disclosed
WO-2009099902-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2009-08-13 WO disclosed
WO-2009099902-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2009-08-13 WO disclosed
US-7541383-B2 Asthma and allergic inflammation modulators AMGEN INC. (US) 2009-06-02 US disclosed
US-7541383-B2 Asthma and allergic inflammation modulators AMGEN INC. (US) 2009-06-02 US disclosed
US-20080085891-A1 Asthma and allergic inflammation modulators FU ZICE 2008-04-10 US disclosed
US-20080085891-A1 Asthma and allergic inflammation modulators FU ZICE 2008-04-10 US disclosed
US-7321001-B2 Asthma and allergic inflammation modulators AMGEN INC. (US) 2008-01-22 US disclosed
US-7321001-B2 Asthma and allergic inflammation modulators AMGEN INC. (US) 2008-01-22 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 (7 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-20130158036-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 HSP90AB1 2237/4885LMNA 1875/4885ALDH1A1 2005/4885
US-20080085891-A1 Asthma and allergic inflammation modulators IL5, TSLP, CYSLTR2 HSP90AB1 2294/4885LMNA 4770/4885ALDH1A1 763/4885
US-20110039852-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 HSP90AB1 2237/4885LMNA 1875/4885ALDH1A1 2005/4885
US-10246454-B2 Substituted 3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,6-diones as gamma secretase modulators BACE1, BACE2, PSEN1 HSP90AB1 3877/4885LMNA 423/4885ALDH1A1 1868/4885
US-20150353544-A1 NOVEL SUBSTITUTED PYRIDO-PIPERAZINONE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 HSP90AB1 3224/4885LMNA 328/4885ALDH1A1 2883/4885
US-10562897-B2 Substituted 3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,6-diones as gamma secretase modulators BACE1, BACE2, PSEN1 HSP90AB1 3877/4885LMNA 423/4885ALDH1A1 1868/4885
US-20180319797-A1 NOVEL SUBSTITUTED PYRIDO-PIPERAZINONE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 HSP90AB1 3224/4885LMNA 328/4885ALDH1A1 2883/4885

“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.