SCHEMBL16031844

SCHEMBL16031844

O=C(O)NCCC(O)c1cccc(SCC2CCCOC2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.34
HSD17B10 Q99714 1/20 0.34
AGTR2 P50052 1/20 0.33
REN P00797 3/20 0.33
NAMPT P43490 2/20 0.33
CYP3A4 P08684 2/20 0.32
MAPK1 P28482 1/20 0.32
MAP1LC3B Q9GZQ8 1/20 0.32
MAP1LC3A Q9H492 1/20 0.32
EPHX2 P34913 1/20 0.32
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
PKM P14618 1/20 0.31
CYP2C19 P33261 1/20 0.31
GSK3B P49841 1/20 0.31
KCNH2 Q12809 1/20 0.31
CTSK P43235 3/20 0.31
PTGER1 P34995 1/20 0.31
PTGFR P43088 1/20 0.31
CTSL P07711 1/20 0.31

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
SCHEMBL16031201 0.88 GCK (0.36) HSD17B10AGTR2MAPK1MAP1LC3BMAP1LC3A
SCHEMBL1710752 0.88 BCHE (0.38) AGTR2CTSK
SCHEMBL16031904 0.82 AGTR2 (0.35) AGTR2MAP1LC3BMAP1LC3ACTSKPTGER1
SCHEMBL1724178 0.80 ROCK2 (0.35) AGTR2MAP1LC3BMAP1LC3ACTSK
SCHEMBL16030863 0.80 NR1H2 (0.36) AGTR2RENNAMPTCYP3A4MAPK1
SCHEMBL1710885 0.78 BCHE (0.37) CTSKCTSL
SCHEMBL1710633 0.77 KDM4E (0.32) EPHX2CTSKCTSL
SCHEMBL3390167 0.76 CTSK (0.37) HPGDAGTR2CYP3A4CYP2C19CTSK
SCHEMBL13400259 0.76 HDAC6 (0.38) CTSKCTSL
SCHEMBL13400239 0.76 HDAC6 (0.38) CTSKCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170022180-A1 SUBSTITUTED 3-PHENYLPROPYLAMINE DERIVATIVES FOR THE TREATMENT OF OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2017-01-26 US disclosed
US-20160229831-A1 SUBSTITUTED 3-PHENYLPROPYLAMINE DERIVATIVES FOR THE TREATMENT OF OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2016-08-11 US disclosed
US-20160151369-A1 SUBSTITUTED 3-PHENYLPROPYLAMINE DERIVATIVES FOR THE TREATMENT OF OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2016-06-02 US disclosed
EP-2970099-A1 SUBSTITUTED 3-PHENYLPROPYLAMINE DERIVATIVES FOR THE TREATMENT OF OPHTHALMIC DISEASES AND DISORDERS Acucela, Inc. (US) 2016-01-20 EP disclosed
US-9133154-B2 Substituted 3-phenylpropylamine derivatives for the treatment of ophthalmic diseases and disorders ACUCELA INC. (US) 2015-09-15 US disclosed
WO-2014164905-A1 SUBSTITUTED 3-PHENYLPROPYLAMINE DERIVATIVES FOR THE TREATMENT OF OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2014-10-09 WO disclosed
US-20140275043-A1 SUBSTITUTED 3-PHENYLPROPYLAMINE DERIVATIVES FOR THE TREATMENT OF OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2014-09-18 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 (4 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-20140275043-A1 SUBSTITUTED 3-PHENYLPROPYLAMINE DERIVATIVES FOR THE TREATMENT OF OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, PSEN2, CLN6 HPGD 113/4885HSD17B10 1874/4885AGTR2 1406/4885
US-20160229831-A1 SUBSTITUTED 3-PHENYLPROPYLAMINE DERIVATIVES FOR THE TREATMENT OF OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, PSEN2, CLN6 HPGD 113/4885HSD17B10 1874/4885AGTR2 1406/4885
US-20170022180-A1 SUBSTITUTED 3-PHENYLPROPYLAMINE DERIVATIVES FOR THE TREATMENT OF OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, PSEN2, CLN6 HPGD 113/4885HSD17B10 1874/4885AGTR2 1406/4885
US-20160151369-A1 SUBSTITUTED 3-PHENYLPROPYLAMINE DERIVATIVES FOR THE TREATMENT OF OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, PSEN2, CLN6 HPGD 113/4885HSD17B10 1874/4885AGTR2 1406/4885

“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.