SCHEMBL794303

SCHEMBL794303

Cc1cccc(N2CCC(c3cc(Cl)c(Cl)c(Cl)c3)(C(F)(F)F)C2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
HTR3A P46098 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
GRIN2B Q13224 3/20 0.35
LCAT P04180 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
KCNH2 Q12809 2/20 0.33
MAPT P10636 1/20 0.33
GRM2 Q14416 1/20 0.33
PTPN11 Q06124 3/20 0.32
PIM1 P11309 2/20 0.32
PIM3 Q86V86 2/20 0.32
PIM2 Q9P1W9 2/20 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
Ammonia Solution, Strong SCHEMBL27935209 0.83 SCD (0.32) GRM2SCD
SCHEMBL794037 0.82 JAK2 (0.34) GRM2SCD
SCHEMBL27996612 0.81 CYP3A4 (0.43) MEN1MAPK1KMT2AMAPT
Ammonia Solution, Strong SCHEMBL27935220 0.81 PTPN11 (0.32) GRM2PTPN11SCD
SCHEMBL808187 0.81 HTR3E (0.43) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL795137 0.80 CNR2 (0.33) GRM2PTPN11SCD
SCHEMBL10279688 0.80 LCAT (0.38) LCAT
Methylamine SCHEMBL28205497 0.76 GRM2 (0.37) GRM2SCD
Ammonia Solution, Strong SCHEMBL27996613 0.76 CCR1 (0.32) MEN1KMT2AGRM2
SCHEMBL10279050 0.75 SCD (0.33) GRM2PTPN11SCD

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 10 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
CN-103282347-B Pesticidal arylpyrrolidines BAYER IP GMBH 2015-04-01 CN 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
CN-103282347-A Pesticidal arylpyrrolidines BAYER IP GMBH 2013-09-04 CN 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

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 HTR3E 4354/4885HTR3B 4562/4885HTR3A 3864/4885

“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.