SCHEMBL12467301

SCHEMBL12467301

CCC(=O)NCc1ccc(N2CC(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C(F)(F)F)CC2=O)nc1C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 16/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
GRIA2 P42262 1/20 0.35
CMKLR1 Q99788 1/20 0.32
F2 P00734 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 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
SCHEMBL807889 0.95 P2RX7 (0.33) P2RX7CYP1A2CYP2C9GRIA2CMKLR1
SCHEMBL795833 0.83 CYP1A2 (0.34) CYP1A2CYP2C9GRIA2
SCHEMBL15466205 0.83 CYP1A2 (0.33) P2RX7CYP1A2CYP2C9GRIA2
SCHEMBL807798 0.82 TRAP1 (0.30)
SCHEMBL798081 0.77 TRPV1 (0.31) CYP1A2CYP2C9GRIA2
SCHEMBL794401 0.75 EPHX2 (0.38) P2RX7CYP1A2CYP2C9GRIA2
SCHEMBL795686 0.74 NR1H2 (0.34) CYP1A2GRIA2
SCHEMBL15465826 0.74 TRPV1 (0.37) P2RX7CYP1A2CYP2C9GRIA2
SCHEMBL794885 0.74 P2RX7 (0.40) P2RX7
SCHEMBL793870 0.72 TSHR (0.40) CYP2C9

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 6 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-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
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 P2RX7 750/4885CYP1A2 28/4885CYP2C9 81/4885

“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.