SCHEMBL540303

SCHEMBL540303

Cc1cc(N2CCC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1NN

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
AR P10275 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
SCHEMBL539835 0.84 KCNJ6 (0.33) CYP3A4AR
SCHEMBL901574 0.81 AR (0.44) AR
SCHEMBL16572730 0.81 AR (0.32) AR
SCHEMBL901145 0.80 NPC1 (0.43) AR
Ammonia Solution, Strong SCHEMBL27989415 0.80 NOTUM (0.32) CYP3A4AR
SCHEMBL1292216 0.80 ACLY (0.37) AR
SCHEMBL14844514 0.80 ACLY (0.37) AR
SCHEMBL14844511 0.79 PDK2 (0.37) AR
SCHEMBL14851127 0.79 PDK2 (0.37) AR
SCHEMBL540173 0.79 MAPT (0.40) AR

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9055749-B2 Insecticidal arylpyrrolines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-16 US disclosed
US-20150152086-A1 Insecticidal Aryl Pyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-04 US disclosed
US-8980937-B2 Insecticidal aryl pyrrolidines BAYER CROPSCIENCE AG (DE) 2015-03-17 US disclosed
EP-2432762-B1 INSECTICIDAL ARYLPYRROLINES BAYER CROPSCIENCE AG (DE) 2015-02-25 EP disclosed
EP-2242739-B1 INSECTICIDAL ARYLPYRROLINES BAYER CROPSCIENCE AG (DE) 2014-11-12 EP disclosed
US-20140024680-A1 Insecticidal Arylpyrrolines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-01-23 US disclosed
US-8410141-B2 Insecticidal arylpyrrolines BAYER CROPSCIENCE AG (DE) 2013-04-02 US disclosed
US-8304371-B2 Insecticidal arylpyrrolines BAYER CROPSCIENCE AG (DE) 2012-11-06 US disclosed
US-20120232278-A1 Insecticidal Aryl Pyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-09-13 US disclosed
EP-2463265-A2 Process for the preparation of insecticidal aryl pyrrolidines Bayer CropScience AG (DE) 2012-06-13 EP disclosed
US-8188122-B2 Insecticidal aryl pyrrolidines BAYER CROPSCIENCE AG (DE) 2012-05-29 US disclosed
US-20120108635-A1 Insecticidal Arylpyrrolines BAYER CROPSCIENCE AG (DE) 2012-05-03 US disclosed
EP-2432762-A1 INSECTICIDAL ARYLPYRROLINES Bayer CropScience AG (DE) 2012-03-28 EP disclosed
EP-2148853-B1 INSECTICIDAL ARYL PYRROLIDINES BAYER CROPSCIENCE AG (DE) 2012-02-08 EP disclosed
US-20110082175-A1 INSECTICIDAL ARYL PYRROLIDINES BAYER CROPSCIENCE AG (DE) 2011-04-07 US disclosed
US-20110003690-A1 INSECTICIDAL ARYLPYRROLINES BAY CROPSCIENCE AG (DE) 2011-01-06 US disclosed
WO-2010133336-A1 INSECTICIDAL ARYLPYRROLINES BAYER CROPSCIENCE AG (DE) 2010-11-25 WO disclosed
EP-2148853-A1 INSECTICIDAL ARYL PYRROLIDINES BAYER CROPSCIENCE AG (DE) 2010-02-03 EP disclosed
WO-2008128711-A1 INSECTICIDAL ARYL PYRROLIDINES BAYER CROPSCIENCE AG (DE) 2008-10-30 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 (6 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-20120232278-A1 Insecticidal Aryl Pyrrolidines DDT, ITPR3, CYP51A1 CYP3A4 65/4885HRH3 2007/4885AR 4257/4885
US-20150152086-A1 Insecticidal Aryl Pyrrolidines DDT, ITPR3, CYP51A1 CYP3A4 65/4885HRH3 2007/4885AR 4257/4885
US-20110082175-A1 INSECTICIDAL ARYL PYRROLIDINES DDT, ITPR3, CYP51A1 CYP3A4 65/4885HRH3 2007/4885AR 4257/4885
US-20110003690-A1 INSECTICIDAL ARYLPYRROLINES DDT, ACHE, CYP1A2 CYP3A4 205/4885HRH3 740/4885AR 4456/4885
US-20140024680-A1 Insecticidal Arylpyrrolines DDT, ACHE, CYP1A2 CYP3A4 173/4885HRH3 926/4885AR 4192/4885
US-20120108635-A1 Insecticidal Arylpyrrolines DDT, ACHE, CYP1A2 CYP3A4 173/4885HRH3 926/4885AR 4192/4885

“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.