SCHEMBL2180437

SCHEMBL2180437

FC(F)(F)c1cc(Cl)cc(C2(C(F)(F)F)CCNC2)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 12/20 0.41
TACR1 P25103 9/20 0.41
KCNH2 Q12809 3/20 0.41
SLC6A2 P23975 5/20 0.34
SLC6A3 Q01959 5/20 0.34
TSHR P16473 1/20 0.34
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
NOTUM Q6P988 1/20 0.33
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 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
SCHEMBL14844322 0.89 SLC6A4 (0.33) SLC6A4TACR1KCNH2SLC6A2SLC6A3
SCHEMBL118703 0.89 TSHR (0.41) SLC6A4TACR1KCNH2SLC6A2SLC6A3
SCHEMBL14844401 0.89 SLC6A4 (0.33) SLC6A4TACR1KCNH2SLC6A2SLC6A3
SCHEMBL115415 0.89 SLC6A4 (0.33) SLC6A4TACR1KCNH2SLC6A2SLC6A3
SCHEMBL901681 0.82 OPRM1 (0.40) SLC6A4SLC6A2SLC6A3
SCHEMBL18229253 0.81 SLC6A2 (0.37) SLC6A4SLC6A2SLC6A3CYP3A4CYP2D6
SCHEMBL115890 0.81 SLC6A2 (0.37) SLC6A4SLC6A2SLC6A3CYP3A4CYP2D6
SCHEMBL28205007 0.81 SLC6A2 (0.37) SLC6A4SLC6A2SLC6A3CYP3A4CYP2D6
SCHEMBL794941 0.80 SLC6A2 (0.38) SLC6A4SLC6A2SLC6A3CYP3A4CYP2D6
SCHEMBL2180925 0.78 SLC6A2 (0.40) SLC6A4SLC6A2SLC6A3CYP2D6NOTUM

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
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 SLC6A4 2061/4885TACR1 473/4885KCNH2 184/4885

“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.