SCHEMBL1980720

SCHEMBL1980720

NC1CC(O)Oc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.41
MAOA P21397 1/20 0.41
SLC6A2 P23975 3/20 0.37
SLC6A3 Q01959 3/20 0.37
ATM Q13315 1/20 0.35
GUSB P08236 3/20 0.33
KDM1A O60341 3/20 0.33
SLC6A4 P31645 2/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
KDM1B Q8NB78 1/20 0.33
LTB4R Q15722 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
CYP2C9 P11712 1/20 0.33
NISCH Q9Y2I1 1/20 0.33

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
SCHEMBL1328841 0.77 POLB (0.43) MAOBMAOASLC6A2SLC6A3KDM1A
SCHEMBL18383187 0.77 POLB (0.43) MAOBMAOASLC6A2SLC6A3KDM1A
SCHEMBL3832964 0.77 KDM1A (0.37) MAOBMAOASLC6A2SLC6A3ATM
SCHEMBL18383190 0.77 POLB (0.43) MAOBMAOASLC6A2SLC6A3KDM1A
SCHEMBL3530476 0.75 SIRT1 (0.41) SLC6A2SLC6A3ATMCYP2C9NISCH
SCHEMBL14071736 0.74 MAOB (0.45) MAOBMAOASLC6A2SLC6A3KDM1A
SCHEMBL1582078 0.74 ADRA1A (0.42) MAOBMAOA
SCHEMBL27734696 0.74 KDM4E (0.38) MAOBMAOASLC6A2SLC6A3ATM
SCHEMBL10764252 0.73 MAOA (0.41) MAOBMAOAATMGUSBKDM1A
SCHEMBL28513561 0.73 HTR2C (0.37) SLC6A2SLC6A3KDM1ASLC6A4KDM1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102770413-B 5-amino-4-hydroxy-pentanoylamides JANSSEN R&D IRELAND (IE) 2015-08-26 CN disclosed
EP-2509950-B1 5-Amino-4-hydroxypentoyl amides JANSSEN R & D IRELAND (IE) 2015-02-25 EP disclosed
US-8592429-B2 5-amino-4-hydroxypentoyl amides JANSSEN R&D IRELAND (IE) 2013-11-26 US disclosed
US-20120295920-A1 5-AMINO-4-HYDROXYPENTOYL AMIDES JANSSEN SCIENCES IRELAND UC (IE) 2012-11-22 US disclosed
CN-102770413-A 5-amino-4-hydroxy-pentanoylamides TIBOTEC PHARM LTD 2012-11-07 CN disclosed
EP-2509950-A1 5-AMINO- 4-HYDROXYPENTOYL AMIDES Janssen R&D Ireland (IE) 2012-10-17 EP disclosed
WO-2011070131-A1 5-AMINO- 4-HYDROXYPENTOYL AMIDES TIBOTEC PHARMACEUTICALS (IE) 2011-06-16 WO disclosed
EP-0091748-B1 ANTIHYPERTENSIVE BENZOPYRANOLS BEECHAM GROUP PLC (GB) 1986-06-18 EP 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-20120295920-A1 5-AMINO-4-HYDROXYPENTOYL AMIDES C1S, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-10 MAOB 3037/4885MAOA 2732/4885SLC6A2 1717/4885

“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.