SCHEMBL796070

SCHEMBL796070

CC(=O)NCc1cnc(N2CCC(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C(F)(F)F)C2)nc1C(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.35
NR1H3 Q13133 2/20 0.35
PTGES O14684 2/20 0.34
CAMK1D Q8IU85 3/20 0.33
CYP3A4 P08684 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAP3K12 Q12852 2/20 0.32
DLK1 P80370 1/20 0.32
USP2 O75604 4/20 0.32
CYP2C9 P11712 2/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A3 Q01959 2/20 0.32
CYP2D6 P10635 3/20 0.31
CYP2C19 P33261 2/20 0.31
CYP1A2 P05177 2/20 0.31
TSHR P16473 2/20 0.31
ACACB O00763 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HPGD P15428 1/20 0.31
PIK3R1 P27986 1/20 0.31

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
SCHEMBL17857814 0.92 PTGES (0.35) PTGESCAMK1DCYP3A4SMN1; SMN2MAP3K12
SCHEMBL15466511 0.91 PDE5A (0.34) NR1H2NR1H3ACACB
SCHEMBL17857812 0.90 NR1H2 (0.35) NR1H2NR1H3PTGESACACB
SCHEMBL15466297 0.89 TSHR (0.37) CAMK1DMAP3K12CYP2C9TSHR
SCHEMBL794978 0.89 NR1H2 (0.43) NR1H2NR1H3CAMK1DCYP3A4SMN1; SMN2
SCHEMBL794556 0.83 PDE5A (0.33) PTGES
SCHEMBL798197 0.82 PTPN11 (0.33) PTGES
SCHEMBL794301 0.81 CCR4 (0.34) NR1H2NR1H3ACACB
SCHEMBL795219 0.81 KDM4E (0.34) NR1H2NR1H3CYP3A4SMN1; SMN2USP2
SCHEMBL796012 0.80 CCR4 (0.35) PTGESSMN1; SMN2CYP2C9

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 3129/4885PTGES 1455/4885

“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.