SCHEMBL1987173

SCHEMBL1987173

C=CCc1c(O)cccc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.38
GABRB2 P47870 3/20 0.38
ESR1 P03372 2/20 0.38
ESR2 Q92731 1/20 0.38
SRD5A1 P18405 1/20 0.37
XDH P47989 1/20 0.35
TAAR1 Q96RJ0 2/20 0.35
AKR1B1 P15121 2/20 0.34
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ALDH2 P05091 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34

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
SCHEMBL29377115 0.82 ALDH1A1 (0.39) GABRA1GABRB2SRD5A1XDHAKR1B1
SCHEMBL31017014 0.82 ALDH1A1 (0.48) GABRA1GABRB2SRD5A1XDHAKR1B1
SCHEMBL3225381 0.82 ALDH1A1 (0.39) GABRA1GABRB2SRD5A1XDHAKR1B1
SCHEMBL7094975 0.82 ALDH1A1 (0.48) GABRA1GABRB2SRD5A1XDHAKR1B1
SCHEMBL69556 0.80 GABRA1 (0.48) GABRA1GABRB2SRD5A1XDHAKR1B1
SCHEMBL11419047 0.80 TAAR1 (0.36) GABRA1GABRB2ESR1ESR2TAAR1
SCHEMBL11054212 0.80 GABRA1 (0.43) GABRA1GABRB2TAAR1AKR1B1MEN1
SCHEMBL15556765 0.79 ALDH1A1 (0.35) GABRA1GABRB2SRD5A1XDHAKR1B1
SCHEMBL9797380 0.79 TAAR1 (0.35) GABRA1GABRB2ESR1ESR2TAAR1
SCHEMBL9455226 0.79 IMPDH2 (0.37) GABRA1GABRB2ESR1ESR2TAAR1

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 19 patents. 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
EP-2945944-B1 NOVEL SUBSTITUTED PYRIDO-PIPERAZINONE DERIVATIVES AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2016-11-09 EP disclosed
US-20150353544-A1 NOVEL SUBSTITUTED PYRIDO-PIPERAZINONE DERIVATIVES AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-12-10 US disclosed
US-20150353544-A1 NOVEL SUBSTITUTED PYRIDO-PIPERAZINONE DERIVATIVES AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-12-10 US disclosed
WO-2014111457-A1 NOVEL SUBSTITUTED PYRIDO-PIPERAZINONE DERIVATIVES AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-07-24 WO disclosed
EP-2307394-B1 SULPHONAMIDES AS VANILLOID RECEPTOR ANTAGONIST AMOREPACIFIC CORP (KR) 2012-09-26 EP disclosed
EP-2307394-B1 SULPHONAMIDES AS VANILLOID RECEPTOR ANTAGONIST AMOREPACIFIC CORP (KR) 2012-09-26 EP disclosed
US-20110152318-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2011-06-23 US disclosed
US-20110152318-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2011-06-23 US disclosed
US-20110152318-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2011-06-23 US disclosed
US-7714004-B2 Indane acetic acid derivatives and their use as pharmaceutical agents, intermediates, and method of preparation BAYER PHARMACEUTICALS CORPORATION (US) 2010-05-11 US disclosed
WO-2010002209-A2 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2010-01-07 WO disclosed
US-20060084680-A1 Indane acetic acid derivatives and their use as pharmaceutical agents, intermediates, and method of preparation BAYER PHARMACEUTICALS CORPORATION (US) 2006-04-20 US disclosed
EP-0413807-A1 ACYLATED POLYAMINES AND APPLICATIONS THEREOF AS VEGETABLE GROWTH REGULATORS ROUSSEL-UCLAF (FR) 1991-02-27 EP disclosed
WO-1990010386-A1 ACYLATED POLYAMINES AND APPLICATIONS THEREOF AS VEGETABLE GROWTH REGULATORS ROUSSEL-UCLAF (FR) 1990-09-20 WO disclosed
EP-0376819-A1 Acrylated polyamines, process for their preparation and their use as fungicides ROUSSEL-UCLAF (FR) 1990-07-04 EP disclosed
US-4924021-A Cyclic phenol organosilanes and method for their preparation HUELS AKTIENGESELLSCHAFT (DE) 1990-05-08 US disclosed
EP-0132651-A2 Use of cyclic phenol organosilane ester HÜLS AKTIENGESELLSCHAFT (DE) 1985-02-13 EP 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-10246454-B2 Substituted 3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,6-diones as gamma secretase modulators BACE1, BACE2, PSEN1 GABRA1 1353/4885GABRB2 1191/4885ESR1 1184/4885
US-20060084680-A1 Indane acetic acid derivatives and their use as pharmaceutical agents, intermediates, and method of preparation INSR, ACACA, IAPP GABRA1 1533/4885GABRB2 2013/4885ESR1 3666/4885
US-20150353544-A1 NOVEL SUBSTITUTED PYRIDO-PIPERAZINONE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 GABRA1 756/4885GABRB2 437/4885ESR1 1463/4885
US-20110152318-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME TRPV1, TRPA1, TRPV2 GABRA1 520/4885GABRB2 993/4885ESR1 1722/4885
US-10562897-B2 Substituted 3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,6-diones as gamma secretase modulators BACE1, BACE2, PSEN1 GABRA1 1353/4885GABRB2 1191/4885ESR1 1184/4885

“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.