SCHEMBL714622

SCHEMBL714622

COc1ccccc1C(=O)N[C@H](C(=O)N1CCC[C@H]1C=O)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KCNA3 P22001 1/20 0.43
PREP P48147 2/20 0.43
CTSD P07339 1/20 0.42
ACACB O00763 1/20 0.42
ACE2 Q9BYF1 1/20 0.42

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
SCHEMBL8288957 0.91 CCR1 (0.44) NPC1PREP
SCHEMBL14434719 0.91 ALDH1A1 (0.43) ALDH1A1HPGDKMT2AL3MBTL1KCNA3
SCHEMBL8288902 0.86 TAAR1 (0.49) NPC1ALDH1A1PREPACE2
SCHEMBL20484718 0.85 MEN1 (0.53) NPC1ALDH1A1HPGDKMT2AACE2
SCHEMBL22209502 0.85 NPC1 (0.46) NPC1ALDH1A1HPGDKMT2AL3MBTL1
SCHEMBL18619641 0.85 NPC1 (0.46) NPC1ALDH1A1HPGDKMT2AL3MBTL1
SCHEMBL3177023 0.85 MEN1 (0.53) NPC1ALDH1A1HPGDKMT2AACE2
SCHEMBL717019 0.84 PREP (0.62) PREP
SCHEMBL6818900 0.84 ALDH1A1 (0.50) ALDH1A1HPGDKMT2AKCNA3PREP
SCHEMBL717020 0.84 PREP (0.62) PREP

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120053222-A1 Novel Metabolic Disease Therapy THE UNIVERSITY OF SYDNEY (AU) 2012-03-01 US claimed
EP-2389176-A1 NOVEL METABOLIC DISEASE THERAPY The University Of Sydney (AU) 2011-11-30 EP claimed
US-20110253961-A1 Combined Guardrail and Cable Safety Systems TRINITY INDUSTRIES, INC. (US) 2011-10-20 US claimed
WO-2010083570-A1 NOVEL METABOLIC DISEASE THERAPY THE UNIVERSITY OF SYDNEY (AU) 2010-07-29 WO claimed
US-20100081701-A1 FAP inhibitors VANTIA LIMITED (GB) 2010-04-01 US claimed
EP-1919864-A2 FAP INHIBITORS Ferring B.V. (NL) 2008-05-14 EP claimed
WO-2007085895-A2 FAP INHIBITORS FERRING B.V. (US) 2007-08-02 WO claimed
EP-1760076-A1 FAP Inhibitors FERRING B.V. (NL) 2007-03-07 EP claimed
US-8183280-B2 FAP inhibitors VANTIA LIMITED (GB) 2012-05-22 US disclosed
US-8183280-B2 FAP inhibitors VANTIA LIMITED (GB) 2012-05-22 US disclosed
US-8183280-B2 FAP inhibitors VANTIA LIMITED (GB) 2012-05-22 US disclosed
US-20120053222-A1 Novel Metabolic Disease Therapy THE UNIVERSITY OF SYDNEY (AU) 2012-03-01 US disclosed
EP-2389176-A1 NOVEL METABOLIC DISEASE THERAPY The University Of Sydney (AU) 2011-11-30 EP disclosed
US-20110253961-A1 Combined Guardrail and Cable Safety Systems TRINITY INDUSTRIES, INC. (US) 2011-10-20 US disclosed
US-20100081701-A1 FAP inhibitors VANTIA LIMITED (GB) 2010-04-01 US disclosed
US-20100081701-A1 FAP inhibitors VANTIA LIMITED (GB) 2010-04-01 US disclosed
US-20100081701-A1 FAP inhibitors VANTIA LIMITED (GB) 2010-04-01 US disclosed
WO-2007085895-A2 FAP INHIBITORS FERRING B.V. (US) 2007-08-02 WO disclosed
EP-1760076-A1 FAP Inhibitors FERRING B.V. (NL) 2007-03-07 EP disclosed
EP-1760076-A1 FAP Inhibitors FERRING B.V. (NL) 2007-03-07 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 (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-20100081701-A1 FAP inhibitors FAP, APC, SERPINB1 NPC1 581/4885ALDH1A1 379/4885HPGD 1039/4885
US-20120053222-A1 Novel Metabolic Disease Therapy FAP, G6PC1, FBP1 NPC1 605/4885ALDH1A1 901/4885HPGD 1553/4885

“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.