SCHEMBL15569872

SCHEMBL15569872

CC1(C)OC(=O)C(C)(Cc2ccc(OC(F)(F)F)cc2)C(=O)O1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.40
GRM2 Q14416 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
GLA P06280 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
DAO P14920 1/20 0.38
LMNA P02545 1/20 0.38
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
HCRTR1 O43613 2/20 0.37
HCRTR2 O43614 2/20 0.37
SLC6A4 P31645 1/20 0.37
EPHX2 P34913 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
GPR84 Q9NQS5 1/20 0.36
CHRM5 P08912 1/20 0.36

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
SCHEMBL15569546 0.81 NPSR1 (0.56) ALDH1A1GLANPSR1LMNA
SCHEMBL12746561 0.75 GLA (0.69) GRM2CYP3A4ALDH1A1TSHRGLA
SCHEMBL17249756 0.75 ALDH1A1 (0.44) ALDH1A1TSHRDAOLMNABCHE
SCHEMBL28124688 0.72 ALDH1A1 (0.42) GRM2CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL13228067 0.71 LMNA (0.48) CYP3A4CYP2C9CYP2C19ALDH1A1TSHR
SCHEMBL155707 0.67 TSHR (0.58) ALDH1A1TSHRLMNABCHEACHE
Ammonia Solution, Strong SCHEMBL25380785 0.66 TSHR (0.56) CYP2C19ALDH1A1TSHRLMNABCHE
SCHEMBL1005875 0.66 ALDH1A1 (0.47) ALDH1A1TSHRDAOBCHEACHE
SCHEMBL2092054 0.65 SLC6A4 (0.56) ALDH1A1TSHRDAOBCHEACHE
SCHEMBL17103405 0.65 ALDH1A1 (0.44) ALDH1A1TSHRDAOBCHEACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9890147-B2 2,3-benzodiazepines BAYER PHARMA AKTIENGESELLSHAFT (DE) 2018-02-13 US disclosed
US-9890147-B2 2,3-benzodiazepines BAYER PHARMA AKTIENGESELLSHAFT (DE) 2018-02-13 US disclosed
US-9890147-B2 2,3-benzodiazepines BAYER PHARMA AKTIENGESELLSHAFT (DE) 2018-02-13 US disclosed
EP-2885286-B1 2,3-BENZODIAZEPINES Bayer Pharma AG (DE) 2017-03-22 EP disclosed
EP-2885286-B1 2,3-BENZODIAZEPINES Bayer Pharma AG (DE) 2017-03-22 EP disclosed
US-20160129011-A1 BICYCLO 2,3-BENZODIAZEPINES AND SPIROCYCLICALLY SUBSTITUTED 2,3-BENZODIAZEPINES Bayer Pharma AG (DE) 2016-05-12 US disclosed
US-20160129011-A1 BICYCLO 2,3-BENZODIAZEPINES AND SPIROCYCLICALLY SUBSTITUTED 2,3-BENZODIAZEPINES Bayer Pharma AG (DE) 2016-05-12 US disclosed
US-20160129011-A1 BICYCLO 2,3-BENZODIAZEPINES AND SPIROCYCLICALLY SUBSTITUTED 2,3-BENZODIAZEPINES Bayer Pharma AG (DE) 2016-05-12 US disclosed
EP-3010909-A1 SUBSTITUTED PHENYL-2,3-BENZODIAZEPINES Bayer Pharma Aktiengesellschaft (DE) 2016-04-27 EP disclosed
EP-2958909-A1 BICYCLO 2,3-BENZODIAZEPINES AND SPIROCYCLICALLY SUBSTITUTED 2,3-BENZODIAZEPINES Bayer Pharma Aktiengesellschaft (DE) 2015-12-30 EP disclosed
US-20150203483-A1 2,3-BENZODIAZEPINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-07-23 US disclosed
US-20150203483-A1 2,3-BENZODIAZEPINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-07-23 US disclosed
US-20150203483-A1 2,3-BENZODIAZEPINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-07-23 US disclosed
EP-2885286-A1 2,3-BENZODIAZEPINES Bayer Pharma Aktiengesellschaft (DE) 2015-06-24 EP disclosed
WO-2014202578-A1 SUBSTITUTED PHENYL-2,3-BENZODIAZEPINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-12-24 WO disclosed
WO-2014202578-A1 SUBSTITUTED PHENYL-2,3-BENZODIAZEPINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-12-24 WO disclosed
WO-2014128067-A1 BICYCLO 2,3-BENZODIAZEPINES AND SPIROCYCLICALLY SUBSTITUTED 2,3-BENZODIAZEPINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-08-28 WO disclosed
WO-2014026997-A1 2,3-BENZODIAZEPINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-02-20 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 (2 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-20160129011-A1 BICYCLO 2,3-BENZODIAZEPINES AND SPIROCYCLICALLY SUBSTITUTED 2,3-BENZODIAZEPINES BRD4, BRDT, BICRA PAX8 2239/4885GRM2 1699/4885CYP3A4 1651/4885
US-20150203483-A1 2,3-BENZODIAZEPINES BRD4, BET1, BRDT PAX8 2345/4885GRM2 1374/4885CYP3A4 1931/4885

“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.