SCHEMBL795833

SCHEMBL795833

CCC(=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 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 1/20 0.34
GRIA2 P42262 1/20 0.34
MAPT P10636 1/20 0.33
MCHR1 Q99705 1/20 0.33
TRPV1 Q8NER1 11/20 0.33
SCD O00767 3/20 0.33
PDE4B Q07343 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL794401 0.91 EPHX2 (0.38) CYP1A2CYP2C9GRIA2TRPV1
SCHEMBL795686 0.91 NR1H2 (0.34) CYP1A2GRIA2MAPTMCHR1TRPV1
SCHEMBL15465826 0.90 TRPV1 (0.37) CYP1A2CYP2C9GRIA2TRPV1
SCHEMBL793870 0.89 TSHR (0.40) CYP2C9MCHR1TSHR
SCHEMBL15889069 0.85 TRPV1 (0.34) MCHR1TRPV1
SCHEMBL15466559 0.85 NR1H2 (0.36) CYP1A2CYP2C9GRIA2MAPTCYP3A4
SCHEMBL15466205 0.83 CYP1A2 (0.33) CYP1A2CYP2C9GRIA2TRPV1
SCHEMBL12467301 0.83 P2RX7 (0.35) CYP1A2CYP2C9GRIA2
SCHEMBL15888062 0.83 TRPV1 (0.35) MCHR1TRPV1
SCHEMBL807886 0.83 SCD (0.43) CYP1A2CYP2C9MAPTMCHR1SCD

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 7 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
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 CYP1A2 28/4885CYP2C9 81/4885GRIA2 2227/4885

“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.