SCHEMBL1091015

SCHEMBL1091015

COc1ccc(N=C=O)cc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.42
ALDH1A1 P00352 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
HPGD P15428 2/20 0.42
TRPA1 O75762 1/20 0.41
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.38
CTSS P25774 3/20 0.36
CTSK P43235 3/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
AR P10275 3/20 0.35
S1PR1 P21453 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
SCHEMBL1099396 0.87 CYP3A4 (0.42) CYP3A4ALDH1A1TDP1HPGDTRPA1
SCHEMBL3472171 0.87 CYP3A4 (0.42) CYP3A4ALDH1A1TDP1HPGDTRPA1
SCHEMBL10918491 0.85 TDP1 (0.41) CYP3A4ALDH1A1TDP1HPGDTRPA1
SCHEMBL19461641 0.83 RXRA (0.46) CYP3A4TDP1TRPA1MAPK1CTSS
SCHEMBL19461581 0.83 RXRA (0.47) CYP3A4TDP1TRPA1MAPK1CTSS
SCHEMBL10918535 0.83 MAPK1 (0.42) CYP3A4TDP1TRPA1MAPK1PPARG
SCHEMBL19258553 0.81 ALDH1A1 (0.40) CYP3A4ALDH1A1HPGDHSD17B10CTSS
SCHEMBL1555041 0.79 MAPK1 (0.47) CYP3A4TDP1TRPA1MAPK1TSHR
SCHEMBL307695 0.79 HTR3E (0.53) CYP3A4ALDH1A1TDP1HPGDTRPA1
SCHEMBL29600721 0.79 HTR3E (0.53) CYP3A4ALDH1A1TDP1HPGDTRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10196388-B2 Azabicyclic carbamates and their use as alpha-7 nicotinic acetylcholine receptor agonists BAYER INTELLECTUAL PROPERTY GMBH (DE) 2019-02-05 US disclosed
US-20180127409-A1 AZABICYCLIC CARBAMATES AND THEIR USE AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-10 US disclosed
US-9714242-B2 Azabicyclic carbamates and their use as alpha-7 nicotinic acetylcholine receptor agonists BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-07-25 US disclosed
US-20150065537-A1 AZABICYCLIC CARBAMATES AND THEIR USE AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-03-05 US disclosed
US-8772511-B2 Azabicyclic carbamates and their use as alpha-7 nicotinic acetylcholine receptor agonists BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-07-08 US disclosed
US-20130060039-A1 AZABICYCLIC CARBAMATES AND THEIR USE AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS BAYER SCHERING PHARMA AG (DE) 2013-03-07 US disclosed
US-8153799-B2 Azabicyclic carbamates and their use as alpha-7 nicotinic acetylcholine receptor agonists BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2012-04-10 US disclosed
US-20100324085-A1 AZABICYCLIC CARBAMATES AND THEIR USE AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS BAYER SCHERING PHARMA AG (DE) 2010-12-23 US disclosed
US-7795453-B2 Azabicyclic carbamates and their use as alpha-7 nicotinic acetylcholine receptor agonists BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-09-14 US disclosed
EP-1527073-B1 BENZOTHIOPHENE UREA, BENZOFURANE UREA, AND INDOLE UREA, AND USE OF THE SAME AS ALPHA-7 ACHR AGONISTS BAYER HEALTHCARE AG (DE) 2007-08-22 EP disclosed
US-7259164-B2 Certain substituted imidazo[1,2-a]pyrazines, as modulators of kinase activity CGI PHARMACEUTICALS, INC. (US) 2007-08-21 US disclosed
US-20060106096-A1 Azabicyclic carbamates and their use as alpha-7 nicotinic acetylcholine receptor agonists BAYER HEALTH AG (DE) 2006-05-18 US disclosed
EP-1527073-A1 BENZOTHIOPHENE UREA, BENZOFURANE UREA, AND INDOLE UREA, AND USE OF THE SAME AS ALPHA-7 ACHR AGONISTS Bayer HealthCare AG (DE) 2005-05-04 EP disclosed
US-20050085484-A1 Certain substituted imidazo[1,2-a]pyrazines, as modulators of kinase activity GILEAD CONNECTICUT, INC. 2005-04-21 US disclosed
WO-2005020985-A1 INDOLAMIDE DERIVATIVES WHICH POSSESS GLYCOGEN PHOSPHORYLASE INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2005-03-10 WO disclosed
WO-2005020986-A1 HETEROCYCLIC AMIDE DERIVATIVES WHICH POSSES GLYCOGEN PHOSPHORYLASE INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2005-03-10 WO disclosed
WO-2004013136-A1 BENZOTHIOPHENE UREA, BENZOFURANE UREA, AND INDOLE UREA, AND USE OF THE SAME AS ALPHA-7 ACHR AGONISTS BAYER HEALTHCARE AG (DE) 2004-02-12 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 (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-20100324085-A1 AZABICYCLIC CARBAMATES AND THEIR USE AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS CHRNA7, CHRNA5, CHRNA4 CYP3A4 1913/4885ALDH1A1 1483/4885TDP1 2080/4885
US-20150065537-A1 AZABICYCLIC CARBAMATES AND THEIR USE AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS CHRNA7, CHRNA5, CHRNA4 CYP3A4 1913/4885ALDH1A1 1483/4885TDP1 2080/4885
US-20180127409-A1 AZABICYCLIC CARBAMATES AND THEIR USE AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS CHRNA7, CHRNA5, CHRNA4 CYP3A4 1913/4885ALDH1A1 1483/4885TDP1 2080/4885
US-20060106096-A1 Azabicyclic carbamates and their use as alpha-7 nicotinic acetylcholine receptor agonists CHRNA7, CHRNA5, CHRNA4 CYP3A4 1942/4885ALDH1A1 1563/4885TDP1 2159/4885
US-20050085484-A1 Certain substituted imidazo[1,2-a]pyrazines, as modulators of kinase activity ERBB4, MAP4K4, EPHB4 CYP3A4 1513/4885ALDH1A1 912/4885TDP1 2591/4885
US-20130060039-A1 AZABICYCLIC CARBAMATES AND THEIR USE AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS CHRNA7, CHRNA5, CHRNA4 CYP3A4 1913/4885ALDH1A1 1483/4885TDP1 2080/4885
US-10196388-B2 Azabicyclic carbamates and their use as alpha-7 nicotinic acetylcholine receptor agonists CHRNA7, CHRNA5, CHRNA4 CYP3A4 1913/4885ALDH1A1 1483/4885TDP1 2080/4885

“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.