SCHEMBL2019626

SCHEMBL2019626

c1ccc(CC(NC2=NCCO2)c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.49
HTT P42858 2/20 0.49
KDM4E B2RXH2 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CYP3A4 P08684 3/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 1/20 0.48
ADRA2A P08913 7/20 0.47
ADRA2B P18089 7/20 0.47
ADRA2C P18825 7/20 0.47
GMNN O75496 1/20 0.44
HTR1A P08908 1/20 0.44
TSHR P16473 1/20 0.44
ADRA1A P35348 1/20 0.44
OPRK1 P41145 1/20 0.44
HIF1A Q16665 1/20 0.44
NISCH Q9Y2I1 1/20 0.44
KCNN3 Q9UGI6 1/20 0.41

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
SCHEMBL3576929 0.91 HTT (0.41) L3MBTL1HTTKDM4ENPSR1CYP3A4
SCHEMBL1156686 0.88 CYP1A2 (0.56) L3MBTL1HTTKDM4ENPSR1CYP3A4
SCHEMBL3414023 0.87 ADRA2A (0.40) L3MBTL1HTTKDM4ENPSR1CYP3A4
SCHEMBL1120243 0.80 ADRA2A (0.39) KDM4ECYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL3415726 0.79 TAAR1 (0.40) L3MBTL1KDM4ECYP3A4CYP1A2CYP2D6
SCHEMBL3411854 0.78 ADRA2A (0.37) KDM4ECYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL15727100 0.78 PDE4A (0.38) L3MBTL1HTTKDM4ENPSR1CYP3A4
SCHEMBL3415416 0.77 ADRA2A (0.40) CYP3A4CYP1A2CYP2D6CYP2C9ADRA2A
SCHEMBL4107387 0.76 CFB (0.37) CYP3A4CYP1A2CYP2D6CYP2C19ADRA2A
SCHEMBL1784726 0.75 TAAR1 (0.50) L3MBTL1KDM4ECYP3A4CYP1A2CYP2D6

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-8221775-B2 Pyrrolin-2-ylamino compounds for combating animal pests BASF SE (DE) 2012-07-17 US disclosed
EP-2346822-A1 PYRROLIN-2-YLAMINO COMPOUNDS FOR COMBATING ANIMAL PESTS BASF SE (DE) 2011-07-27 EP disclosed
US-20110160269-A1 Pyrrolin-2-ylamino Compounds For Combating Animal Pests BASF SE 2011-06-30 US disclosed
WO-2010029069-A1 PYRROLIN-2-YLAMINO COMPOUNDS FOR COMBATING ANIMAL PESTS BASF SE (DE) 2010-03-18 WO disclosed
US-7655600-B2 4,5-Dihydro-4-methyloxazol-2-yl)-[2-(3-chloro-phenyl)-1-phenyl-ethyl]-amine; 1-[1-(4-Chlorophenyl)-2-phenyl-ethyl]-(4,5-dihydrothiazol-2-yl)-amine; animal pests; agriculture; broad activity spectrum against difficult to control insects etc. BASF AKTIENGESELLSCHAFT (DE) 2010-02-02 US disclosed
WO-2009120648-A1 SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF ALLERGAN, INC. (US) 2009-10-01 WO disclosed
US-20090239918-A1 SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF ALLERGAN, INC. (US) 2009-09-24 US disclosed
US-20090239918-A1 SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF ALLERGAN, INC. (US) 2009-09-24 US disclosed
US-20090239918-A1 SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF ALLERGAN, INC. (US) 2009-09-24 US disclosed
US-20070149582-A1 1-(Azolin-2-yl)amino-1,2-diphenylethane compounds for combating insects, arachnids and nematodes BASF AKTIENGESELLSCHAFT (DE) 2007-06-28 US 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 (3 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-20090239918-A1 SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF ADRB2, ADRA2C, ADRA2A L3MBTL1 3640/4885HTT 2929/4885KDM4E 3040/4885
US-20070149582-A1 1-(Azolin-2-yl)amino-1,2-diphenylethane compounds for combating insects, arachnids and nematodes ANXA1, ANTXR2, ANXA2 L3MBTL1 418/4885HTT 2813/4885KDM4E 2567/4885
US-20110160269-A1 Pyrrolin-2-ylamino Compounds For Combating Animal Pests RXFP3, CBR3, ATL3 L3MBTL1 463/4885HTT 2503/4885KDM4E 2070/4885

“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.