SCHEMBL15525017

SCHEMBL15525017

c1ccc(-c2ccsc2)c(CNC2CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.49
SLC6A4 P31645 1/20 0.49
SLC6A3 Q01959 1/20 0.49
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
RAB9A P51151 1/20 0.41
OPRL1 P41146 1/20 0.38
CYP2E1 P05181 1/20 0.38
CYP2A6 P11509 1/20 0.38
CYP2B6 P20813 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
KIT P10721 1/20 0.37
FLT1 P17948 1/20 0.37
KDR P35968 1/20 0.37
TACR1 P25103 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 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
SCHEMBL5872547 0.80 SLC6A2 (0.69) SLC6A2SLC6A4SLC6A3KMT2AMEN1
SCHEMBL15525047 0.80 IDH2 (0.40) OPRL1BCHEACHEBACE1IDH2
SCHEMBL8280205 0.78 LTA4H (0.54) SLC6A2SLC6A4SLC6A3OPRL1CYP2E1
SCHEMBL5872540 0.74 SLC6A2 (0.66) SLC6A2SLC6A4SLC6A3KMT2AMEN1
SCHEMBL15525099 0.74 LTA4H (0.62) SLC6A2SLC6A4SLC6A3KMT2AMEN1
SCHEMBL9057181 0.73 SLC6A2 (0.64) SLC6A2SLC6A4SLC6A3KMT2AMEN1
SCHEMBL15525011 0.73 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3KMT2AMEN1
SCHEMBL15525015 0.72 TACR1 (0.41) KMT2AMEN1RAB9ATACR1BCHE
SCHEMBL477489 0.72 CYP2A6 (0.47) KMT2AMEN1CYP2E1CYP2A6CYP2B6
SCHEMBL12819940 0.72 CYP2A6 (0.47) KMT2AMEN1OPRL1CYP2E1CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190092765-A1 N-CYCLOALKYL-N-[(HETEROCYCLYLPHENYL)METHYLENE]-(THIO)CARBOXAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2019-03-28 US claimed
EP-2838893-B1 N-CYCLOALKYL-N-[(HETEROCYCLYLPHENYL)METHYLENE]-(THIO)CARBOXAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2019-03-13 EP claimed
CN-104428294-B N cycloalkyl N [(heterocyclyl phenyl) methylene] (thio) carboxamide derivative 拜尔农科股份公司 2017-07-14 CN claimed
US-20150210678-A1 N-CYCLOALKYL-N-[(HETEROCYCLYLPHENYL)METHYLENE]-(THIO)CARBOXAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2015-07-30 US claimed
EP-2838893-A1 N-CYCLOALKYL-N-[(HETEROCYCLYLPHENYL)METHYLENE]-(THIO)CARBOXAMIDE DERIVATIVES Bayer Cropscience AG (DE) 2015-02-25 EP claimed
WO-2013156559-A1 N-CYCLOALKYL-N-[(HETEROCYCLYLPHENYL)METHYLENE]-(THIO)CARBOXAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2013-10-24 WO claimed
US-20190092765-A1 N-CYCLOALKYL-N-[(HETEROCYCLYLPHENYL)METHYLENE]-(THIO)CARBOXAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2019-03-28 US disclosed
EP-2838893-B1 N-CYCLOALKYL-N-[(HETEROCYCLYLPHENYL)METHYLENE]-(THIO)CARBOXAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2019-03-13 EP disclosed
US-10125126-B2 N-cycloalkyl-N-[(heterocyclylphenyl)methylene]-(thio)carboxamide derivatives BAYER CROPSCIENCE AG (DE) 2018-11-13 US disclosed
CN-104428294-B N cycloalkyl N [(heterocyclyl phenyl) methylene] (thio) carboxamide derivative 拜尔农科股份公司 2017-07-14 CN disclosed
US-20150210678-A1 N-CYCLOALKYL-N-[(HETEROCYCLYLPHENYL)METHYLENE]-(THIO)CARBOXAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2015-07-30 US disclosed
EP-2838893-A1 N-CYCLOALKYL-N-[(HETEROCYCLYLPHENYL)METHYLENE]-(THIO)CARBOXAMIDE DERIVATIVES Bayer Cropscience AG (DE) 2015-02-25 EP disclosed
WO-2013156559-A1 N-CYCLOALKYL-N-[(HETEROCYCLYLPHENYL)METHYLENE]-(THIO)CARBOXAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2013-10-24 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 (3 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-20150210678-A1 N-CYCLOALKYL-N-[(HETEROCYCLYLPHENYL)METHYLENE]-(THIO)CARBOXAMIDE DERIVATIVES CBR3, NANP, CBR1 SLC6A2 4682/4885SLC6A4 4012/4885SLC6A3 4142/4885
US-10125126-B2 N-cycloalkyl-N-[(heterocyclylphenyl)methylene]-(thio)carboxamide derivatives CBR3, NANP, CBR1 SLC6A2 4682/4885SLC6A4 4012/4885SLC6A3 4142/4885
US-20190092765-A1 N-CYCLOALKYL-N-[(HETEROCYCLYLPHENYL)METHYLENE]-(THIO)CARBOXAMIDE DERIVATIVES CBR3, CBR1, NANP SLC6A2 4646/4885SLC6A4 3927/4885SLC6A3 4089/4885

“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.