SCHEMBL3300519

SCHEMBL3300519

Cc1ccc([C@@H](O)[C@H](N)C(=O)N2CCCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.50
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
DPP4 P27487 4/20 0.41
DPP7 Q9UHL4 4/20 0.41
DPP8 Q6V1X1 2/20 0.41
DPP9 Q86TI2 1/20 0.41
HCRTR2 O43614 1/20 0.40
PLAU P00749 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL10301471 1.00 HPGD (0.50) HPGDRAB9ANPC1DPP4DPP7
SCHEMBL3303393 1.00 HPGD (0.50) HPGDRAB9ANPC1DPP4DPP7
SCHEMBL367603 1.00 HPGD (0.50) HPGDRAB9ANPC1DPP4DPP7
SCHEMBL367911 1.00 HPGD (0.50) HPGDRAB9ANPC1DPP4DPP7
SCHEMBL368344 1.00 HPGD (0.50) HPGDRAB9ANPC1DPP4DPP7
SCHEMBL3299190 1.00 HPGD (0.50) HPGDRAB9ANPC1DPP4DPP7
Hydrochloric Acid SCHEMBL296483 0.98 HPGD (0.49) HPGDRAB9ANPC1DPP4DPP7
SCHEMBL10305139 0.86 HIF1A (0.41) HPGDRAB9ADPP4DPP7DPP8
SCHEMBL10030138 0.84 DPP4 (0.52) DPP4DPP7DPP8DPP9ALDH1A1
SCHEMBL2696470 0.84 DPP4 (0.52) DPP4DPP7DPP8DPP9ALDH1A1

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 472/4885RAB9A 1769/4885NPC1 623/4885
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 472/4885RAB9A 1769/4885NPC1 623/4885
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 395/4885RAB9A 1759/4885NPC1 833/4885

“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.