SCHEMBL2179101

SCHEMBL2179101

FC(F)(F)c1cccc(C2(C(F)(F)F)CCNC2)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.45
SLC6A4 P31645 3/20 0.44
TACR1 P25103 3/20 0.44
SLC6A3 Q01959 2/20 0.42
SLC6A2 P23975 1/20 0.42
HTR2C P28335 4/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTR1D P28221 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
OPRL1 P41146 1/20 0.39

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
SCHEMBL118703 0.84 TSHR (0.41) SLC6A4TACR1SLC6A3SLC6A2
SCHEMBL2180201 0.82 HTR2A (0.38) SLC6A4TACR1SLC6A3SLC6A2
SCHEMBL2179928 0.82 SLC6A4 (0.38) SLC6A4TACR1SLC6A3SLC6A2HTR2C
SCHEMBL28775360 0.80 HTR2A (0.53) SLC6A4TACR1SLC6A2HTR2COPRL1
SCHEMBL8086617 0.79 OPRL1 (0.50) KDM1ASLC6A4TACR1MAPTOPRL1
SCHEMBL2180437 0.78 SLC6A4 (0.41) SLC6A4TACR1SLC6A3SLC6A2
SCHEMBL5728531 0.75 TACR1 (0.49) KDM1ASLC6A4TACR1SLC6A3SLC6A2
SCHEMBL31322451 0.75 OPRL1 (0.56) KDM1ATACR1MAPTOPRL1
SCHEMBL5728524 0.75 TACR1 (0.49) KDM1ASLC6A4TACR1SLC6A3SLC6A2
SCHEMBL186127 0.75 OPRL1 (0.56) KDM1ATACR1MAPTOPRL1

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 KDM1A 1270/4885SLC6A4 2061/4885TACR1 473/4885

“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.