SCHEMBL13407804

SCHEMBL13407804

CCOc1ccccc1CN(C)C

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 18/20 0.70
SLC6A2 P23975 13/20 0.70
SLC6A3 Q01959 12/20 0.70
MAPT P10636 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
HTR2A P28223 5/20 0.54
KCNH2 Q12809 2/20 0.50
ALDH1A1 P00352 1/20 0.48

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
SCHEMBL28122420 0.82 MAPT (0.55) SLC6A4SLC6A2SLC6A3MAPTNPSR1
SCHEMBL3053778 0.81 MAPT (0.53) SLC6A4SLC6A2SLC6A3MAPTNPSR1
Hydrochloric Acid SCHEMBL8699695 0.79 DRD2 (0.66) SLC6A4SLC6A2SLC6A3HTR2A
SCHEMBL8698766 0.79 HRH1 (0.69) SLC6A4SLC6A2SLC6A3
SCHEMBL735118 0.79 SLC6A4 (0.68) SLC6A4SLC6A2SLC6A3HTR2AKCNH2
SCHEMBL8700220 0.79 DRD2 (0.66) SLC6A4SLC6A2SLC6A3HTR2AALDH1A1
SCHEMBL5254664 0.79 L3MBTL1 (0.64) MAPTNPSR1L3MBTL1ALDH1A1
SCHEMBL31054 0.79 L3MBTL1 (0.84) MAPTNPSR1L3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL8387688 0.78 HRH1 (0.67) SLC6A4SLC6A2SLC6A3
SCHEMBL6131996 0.78 SLC6A4 (0.54) SLC6A4SLC6A2SLC6A3MAPTHTR2A

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-8772327-B2 Phenylpropionic acid derivative and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2014-07-08 US disclosed
US-20130131134-A1 PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF MORITA KOHEI (JP) 2013-05-23 US disclosed
US-8334314-B2 Phenylpropionic acid derivative and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2012-12-18 US disclosed
US-20100093819-A1 PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORPORATION (JP) 2010-04-15 US disclosed
US-7316892-B2 Process of preparing planographic printing plate KONICA MINOLTA MEDICAL & GRAPHIC INC. (JP) 2008-01-08 US disclosed
US-7316892-B2 Process of preparing planographic printing plate KONICA MINOLTA MEDICAL & GRAPHIC INC. (JP) 2008-01-08 US disclosed
US-20070166647-A1 Light sensitive planographic printing plate material and planographic printing plate manufacturing process KONICA MINOLTA MEDICAL & GRAPHIC, INC. 2007-07-19 US disclosed
US-20070166647-A1 Light sensitive planographic printing plate material and planographic printing plate manufacturing process KONICA MINOLTA MEDICAL & GRAPHIC, INC. 2007-07-19 US disclosed
US-7192690-B2 Process of preparing planographic printing plate KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2007-03-20 US disclosed
US-7192690-B2 Process of preparing planographic printing plate KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2007-03-20 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 (2 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-20130131134-A1 PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF PLA2G12A, PLA2G4A, PLA2G4B SLC6A4 1029/4885SLC6A2 2173/4885SLC6A3 2206/4885
US-20100093819-A1 PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF PLA2G12A, PLA2G4A, PLA2G4B SLC6A4 1029/4885SLC6A2 2173/4885SLC6A3 2206/4885

“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.