SCHEMBL2180201

SCHEMBL2180201

FC(F)(F)C1(c2cccc(Br)c2)CCNC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.38
MGAT2 Q10469 1/20 0.36
SLC6A4 P31645 2/20 0.35
CHRNA1 P02708 1/20 0.35
CHRNG P07510 1/20 0.35
CHRNB1 P11230 1/20 0.35
CHRNB2 P17787 1/20 0.35
SLC6A2 P23975 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
SLC6A3 Q01959 1/20 0.35
CHRND Q07001 1/20 0.35
PDK2 Q15119 1/20 0.35
WDR5 P61964 1/20 0.33
OPRM1 P35372 1/20 0.33
KCNJ6 P48051 1/20 0.32
KCNJ5 P48544 1/20 0.32
KCNJ3 P48549 1/20 0.32
TACR1 P25103 5/20 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
SCHEMBL2179695 0.84 HTR2A (0.31) HTR2A
SCHEMBL20467601 0.82 WDR5 (0.44) MGAT2SLC6A4CHRNA1CHRNGCHRNB1
SCHEMBL29936099 0.82 WDR5 (0.44) MGAT2SLC6A4CHRNA1CHRNGCHRNB1
SCHEMBL2179928 0.82 SLC6A4 (0.38) HTR2ASLC6A4CHRNA1CHRNGCHRNB1
SCHEMBL2179101 0.82 KDM1A (0.45) SLC6A4SLC6A2SLC6A3TACR1
SCHEMBL28027118 0.81 HTR2A (0.34) HTR2ASLC6A4SLC6A2SLC6A3WDR5
SCHEMBL28037033 0.81 HTR2A (0.34) HTR2ASLC6A4SLC6A2SLC6A3WDR5
SCHEMBL28027152 0.81 HTR2A (0.34) HTR2ASLC6A4SLC6A2SLC6A3WDR5
SCHEMBL28775360 0.80 HTR2A (0.53) HTR2ASLC6A4SLC6A2OPRM1TACR1
SCHEMBL19262592 0.73 KDM1A (0.41) HTR2AMGAT2SLC6A4SLC6A2SLC6A3

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
CN-102844299-B Desinsection aryl-pyrrolidine alkane BAYER CROPSCIENCE AG (DE) 2016-03-30 CN disclosed
EP-2519499-B1 PESTICIDAL ARYLPYRROLIDINES BAYER IP GMBH (DE) 2013-09-18 EP disclosed
US-8536201-B2 Pesticidal arylpyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-09-17 US disclosed
CN-102844299-A Pesticidal arylpyrrolidines BAYER CROPSCIENCE AG 2012-12-26 CN disclosed
US-20120322833-A1 Pesticidal Arylpyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-12-20 US disclosed
EP-2519499-A1 PESTICIDAL ARYLPYRROLIDINES Bayer Intellectual Property GmbH (DE) 2012-11-07 EP disclosed
WO-2011080211-A1 PESTICIDAL ARYLPYRROLIDINES BAYER CROPSCIENCE AG (DE) 2011-07-07 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-20120322833-A1 Pesticidal Arylpyrrolidines DDT, CYP4X1, CHRM2 HTR2A 2376/4885MGAT2 1745/4885SLC6A4 2061/4885

“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.