SCHEMBL795686

SCHEMBL795686

CC(=O)NCc1ccc(N2CCC(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C(F)(F)F)C2)nc1C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
SCD O00767 4/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 1/20 0.33
TRPV1 Q8NER1 5/20 0.33
PDE4B Q07343 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
EPHX2 P34913 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
USP2 O75604 1/20 0.32
HPGD P15428 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
MCHR1 Q99705 1/20 0.32
TACR1 P25103 1/20 0.32

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
SCHEMBL794818 0.91 EPHX2 (0.39) NR1H2NR1H3SLC6A2SLC6A3TRPV1
SCHEMBL795833 0.91 CYP1A2 (0.34) SCDTRPV1PDE4BCYP1A2CYP3A4
SCHEMBL795683 0.90 EPHX2 (0.35) NR1H2NR1H3SLC6A2SLC6A3TRPV1
SCHEMBL793870 0.89 TSHR (0.40) TSHREPHX2KDM4EMCHR1
SCHEMBL794978 0.85 NR1H2 (0.43) NR1H2NR1H3SLC6A2SLC6A3CYP1A2
SCHEMBL807886 0.85 SCD (0.43) SCDCYP1A2CYP3A4CYP2D6TSHR
SCHEMBL15889069 0.84 TRPV1 (0.34) TRPV1EPHX2NR1H4KDM4EMCHR1
SCHEMBL794819 0.83 SCD (0.35) SCDCYP1A2CYP3A4CYP2D6TSHR
SCHEMBL794401 0.82 EPHX2 (0.38) TRPV1CYP1A2EPHX2NR1H4GRIA2
SCHEMBL12467260 0.82 TACR1 (0.35) SCDTRPV1CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9375000-B2 Pesticidal arylpyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-06-28 US disclosed
US-20140046069-A1 PESTICIDAL ARYLPYRROLIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-13 US disclosed
EP-2616437-A1 PESTICIDAL ARYLPYRROLIDINES Bayer Intellectual Property GmbH (DE) 2013-07-24 EP disclosed
WO-2012035011-A1 PESTICIDAL ARYLPYRROLIDINES BAYER CROPSCIENCE AG (DE) 2012-03-22 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 (1 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-20140046069-A1 PESTICIDAL ARYLPYRROLIDINES DDT, ACHE, CAT NR1H2 2771/4885NR1H3 3129/4885SCD 3104/4885

“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.