SCHEMBL921694

SCHEMBL921694

Fc1[c]cccc1CCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42
MAOA P21397 3/20 0.41
MAOB P27338 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
KCNH2 Q12809 1/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
CASP1 P29466 1/20 0.37
HSD17B10 Q99714 1/20 0.37
IDO1 P14902 2/20 0.37
ABCB1 P08183 2/20 0.37
ADRB2 P07550 1/20 0.37
TDO2 P48775 1/20 0.37
IDO2 Q6ZQW0 1/20 0.36
CYP2A6 P11509 1/20 0.35

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
SCHEMBL919642 0.89 HTR2A (0.41) MAOAMAOBL3MBTL1IDO1HTR2A
SCHEMBL920532 0.89 MAOB (0.44) MAOAMAOBL3MBTL1
SCHEMBL920113 0.87 SIGMAR1 (0.43) MAOAMAOB
SCHEMBL921223 0.82 HTR2A (0.42) DRD2HPGDALOX15HSD17B10HTR2A
SCHEMBL10422126 0.78 HTR1A (0.43) HTR1ADRD2MAOAMAOBNR1H2
SCHEMBL7431739 0.77 HTR1A (0.42) HTR1ADRD2MAOAMAOBNR1H2
SCHEMBL105233 0.76 TAAR1 (0.31) TAAR1
SCHEMBL27899130 0.76 TDP1 (0.33) TAAR1
SCHEMBL8562892 0.76 HTR1A (0.41) HTR1ADRD2MAOAMAOBL3MBTL1
SCHEMBL7428047 0.76 HTR1A (0.41) HTR1ADRD2MAOAMAOBNR1H2

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
US-8436006-B2 2-amino-quinazoline derivatives useful as inhibitors of β-secretase (BACE) JANSSSEN PHARMACEUTICA N.V. (BE) 2013-05-07 US disclosed
US-20110201649-A1 AGRICULTURAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-18 US disclosed
EP-2345328-A1 COMPOSITION FOR AGRICULTURAL USE Sumitomo Chemical Company, Limited (JP) 2011-07-20 EP disclosed
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-13 US disclosed
EP-2248423-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS Sumitomo Chemical Company, Limited (JP) 2010-11-10 EP disclosed
EP-1776349-B1 2-AMINO-QUINAZOLINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (BE) 2010-10-06 EP disclosed
US-20060178383-A1 Novel 2-amino-quinazoline derivatives useful as inhibitors of beta-secretase (BACE) JANSSEN PHARMACEUTICA, N.V. (BE) 2006-08-10 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-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS WIZ, TST, NAT1 HTR1A 4648/4885DRD2 3451/4885MAOA 3447/4885
US-20060178383-A1 Novel 2-amino-quinazoline derivatives useful as inhibitors of beta-secretase (BACE) BACE2, BACE1, APP HTR1A 1435/4885DRD2 1992/4885MAOA 572/4885
US-20110201649-A1 AGRICULTURAL COMPOSITION H1-0, H1-3, H1-2 HTR1A 3327/4885DRD2 1003/4885MAOA 4535/4885

“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.