SCHEMBL798197

SCHEMBL798197

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

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.33
CCR4 P51679 3/20 0.32
TRPV1 Q8NER1 5/20 0.32
ATF1 P18846 1/20 0.32
NFKB1 P19838 1/20 0.32
PDE5A O76074 7/20 0.32
METAP2 P50579 1/20 0.31
PTGES O14684 2/20 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
SCHEMBL794556 0.93 PDE5A (0.33) CCR4TRPV1PDE5APTGES
SCHEMBL17857812 0.92 NR1H2 (0.35) PTPN11CCR4ATF1NFKB1PDE5A
SCHEMBL17857814 0.90 PTGES (0.35) TRPV1PTGES
SCHEMBL797864 0.89 CCR4 (0.36) CCR4METAP2
SCHEMBL15467152 0.88 ATF1 (0.40) PTPN11CCR4TRPV1ATF1NFKB1
SCHEMBL15466275 0.85 CCR4 (0.33) CCR4TRPV1PDE5A
SCHEMBL15466511 0.84 PDE5A (0.34) CCR4PDE5A
SCHEMBL796012 0.82 CCR4 (0.35) CCR4TRPV1PTGES
SCHEMBL796070 0.82 NR1H2 (0.35) PTGES
SCHEMBL3030705 0.81 NR1H2 (0.35) CCR4TRPV1ATF1NFKB1PDE5A

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 PTPN11 654/4885CCR4 215/4885TRPV1 293/4885

“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.