SCHEMBL3301801

SCHEMBL3301801

N[C@H](C(=O)N1CCCC1)[C@@H](O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.50
MAPK1 P28482 1/20 0.50
DPP4 P27487 8/20 0.48
DPP7 Q9UHL4 8/20 0.48
DPP8 Q6V1X1 4/20 0.47
DPP9 Q86TI2 2/20 0.47
LMNA P02545 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NAAA Q02083 1/20 0.44
ALDH1A1 P00352 1/20 0.43
TSHR P16473 2/20 0.41
RECQL P46063 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
SCHEMBL3298895 1.00 HPGD (0.50) HPGDMAPK1DPP4DPP7DPP8
SCHEMBL10301456 1.00 HPGD (0.50) HPGDMAPK1DPP4DPP7DPP8
SCHEMBL3304931 1.00 HPGD (0.50) HPGDMAPK1DPP4DPP7DPP8
SCHEMBL3299376 1.00 HPGD (0.50) HPGDMAPK1DPP4DPP7DPP8
Hydrochloric Acid SCHEMBL4213355 0.99 HPGD (0.49) HPGDMAPK1DPP4DPP7DPP8
SCHEMBL12087961 0.91 DPP4 (0.47) HPGDDPP4DPP7LMNAKMT2A
SCHEMBL367412 0.91 DPP4 (0.47) HPGDDPP4DPP7LMNAKMT2A
SCHEMBL371187 0.91 DPP4 (0.47) HPGDDPP4DPP7LMNAKMT2A
Hydrochloric Acid SCHEMBL295528 0.89 LMNA (0.46) HPGDDPP4DPP7LMNAKMT2A
SCHEMBL10305139 0.83 HIF1A (0.41) HPGDDPP4DPP7DPP8DPP9

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
EP-2481407-B1 Compounds for use in treating cognitive disorders ALLERGAN INC (US) 2018-09-26 EP claimed
US-20140296287-A1 METHODS FOR TREATING COGNITIVE DISORDERS USING 3-ARYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES, 3-HETEROARYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES AND RELATED COMPOUNDS ALLERGAN, INC. (US) 2014-10-02 US claimed
US-20140179925-A1 METHODS FOR TREATING COGNITIVE DISORDERS USING 3-ARYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES, 3-HETEROARYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES AND RELATED COMPOUNDS ALLERGAN, INC. (US) 2014-06-26 US claimed
EP-2481407-A1 Compounds for use in treating cognitive disorders Allergan, Inc. (US) 2012-08-01 EP claimed
US-20100093793-A1 METHODS FOR TREATING COGNITIVE DISORDERS USING 3-ARYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES, 3-HETEROARYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES AND RELATED COMPOUNDS ALLERGAN, INC. (US) 2010-04-15 US claimed
EP-2131837-A1 METHODS FOR TREATING COGNITIVE DISORDERS USING 3-ARYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES, 3-HETEROARYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES AND RELATED COMPOUNDS Allergan, Inc. (US) 2009-12-16 EP claimed
WO-2008109610-A1 METHODS FOR TREATING COGNITIVE DISORDERS USING 3-ARYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES, 3-HETEROARYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES AND RELATED COMPOUNDS ALLERGAN, INC. (US) 2008-09-12 WO claimed
EP-2481407-A1 Compounds for use in treating cognitive disorders Allergan, Inc. (US) 2012-08-01 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 (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-20140179925-A1 METHODS FOR TREATING COGNITIVE DISORDERS USING 3-ARYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES, 3-HETEROARYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES AND RELATED COMPOUNDS SLC1A2, GRIN2C, GRIN2A HPGD 472/4885MAPK1 4333/4885DPP4 1239/4885
US-20140296287-A1 METHODS FOR TREATING COGNITIVE DISORDERS USING 3-ARYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES, 3-HETEROARYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES AND RELATED COMPOUNDS SLC1A2, GRIN2C, GRIN2A HPGD 472/4885MAPK1 4333/4885DPP4 1239/4885
US-20100093793-A1 METHODS FOR TREATING COGNITIVE DISORDERS USING 3-ARYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES, 3-HETEROARYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES AND RELATED COMPOUNDS SLC1A2, AADAT, AANAT HPGD 395/4885MAPK1 4266/4885DPP4 1241/4885

“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.