SCHEMBL798795

SCHEMBL798795

O=Cc1ccc(N2CCC(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C(F)(F)F)C2)nc1Br

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.34
MCHR1 Q99705 3/20 0.33
SCD O00767 4/20 0.33
SMN1; SMN2 Q16637 5/20 0.32
CYP3A4 P08684 5/20 0.32
TSHR P16473 5/20 0.32
CYP2D6 P10635 4/20 0.32
CYP1A2 P05177 4/20 0.32
DGAT1 O75907 1/20 0.31
USP2 O75604 2/20 0.31
HIF1A Q16665 2/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 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
SCHEMBL807882 0.88 HRH3 (0.35) HRH3MCHR1SCDSMN1; SMN2CYP3A4
SCHEMBL794132 0.81 SCD (0.35) HRH3MCHR1SCDSMN1; SMN2CYP3A4
SCHEMBL799014 0.81 SCD (0.42) HRH3MCHR1SCDSMN1; SMN2CYP3A4
SCHEMBL794980 0.79 GRIN2D (0.37) SCDSMN1; SMN2CYP3A4TSHRCYP2D6
SCHEMBL15474198 0.79 SCD (0.33) SCD
SCHEMBL12467260 0.78 TACR1 (0.35) MCHR1SCDSMN1; SMN2CYP3A4TSHR
SCHEMBL12467053 0.77 CYP3A4 (0.33) MCHR1SCDSMN1; SMN2CYP3A4TSHR
SCHEMBL15472391 0.77 SCD (0.32) SCD
SCHEMBL794384 0.75 TACR1 (0.33) MCHR1SCDSMN1; SMN2CYP3A4TSHR
SCHEMBL794456 0.75 SCD (0.36) SCDSMN1; SMN2CYP3A4TSHRCYP2D6

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 9 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-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
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 HRH3 1279/4885MCHR1 1165/4885SCD 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.