SCHEMBL4594568

SCHEMBL4594568

N#CCC(O)c1cccc(OCc2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.53
KMT2A Q03164 2/20 0.53
LMNA P02545 1/20 0.52
HPGD P15428 1/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.52
HTT P42858 1/20 0.52
NR4A2 P43354 1/20 0.51
MEN1 O00255 1/20 0.49
MAOB P27338 5/20 0.49
CYP4F2 P78329 1/20 0.49
CYP4A11 Q02928 1/20 0.49
GUSB P08236 1/20 0.48
SMPD1 P17405 1/20 0.47
ALOX5 P09917 1/20 0.46

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
SCHEMBL16031060 1.00 SGMS2 (0.57) SGMS2SMN1; SMN2KMT2ALMNAHPGD
SCHEMBL2205652 0.89 SGMS2 (0.46) SGMS2SMN1; SMN2KMT2ALMNAHPGD
SCHEMBL2151279 0.88 SGMS2 (0.45) SGMS2SMN1; SMN2KMT2ALMNAHPGD
SCHEMBL2207518 0.87 SGMS2 (0.46) SGMS2SMN1; SMN2KMT2ALMNAHPGD
SCHEMBL2207328 0.87 SGMS2 (0.46) SGMS2SMN1; SMN2KMT2ALMNAHPGD
SCHEMBL2207644 0.86 FFAR1 (0.43) SGMS2SMN1; SMN2KMT2ALMNAHPGD
SCHEMBL2206995 0.86 SGMS2 (0.45) SGMS2SMN1; SMN2KMT2ALMNAHPGD
SCHEMBL11099251 0.86 SGMS2 (0.60) SGMS2SMN1; SMN2KMT2ALMNAHPGD
SCHEMBL2207500 0.84 SGMS2 (0.40) SGMS2LMNA
SCHEMBL28029760 0.84 MAOB (0.57) SMN1; SMN2LMNAHPGDHTTNR4A2

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
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
US-9133154-B2 Substituted 3-phenylpropylamine derivatives for the treatment of ophthalmic diseases and disorders ACUCELA INC. (US) 2015-09-15 US disclosed
US-20140275043-A1 SUBSTITUTED 3-PHENYLPROPYLAMINE DERIVATIVES FOR THE TREATMENT OF OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2014-09-18 US disclosed
US-20080318947-A1 Inhibitors of Akt Activity HEERDING DIRK A 2008-12-25 US disclosed
EP-1874768-A2 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2008-01-09 EP disclosed
WO-2006113837-A2 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2006-10-26 WO 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 (5 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 SGMS2 3022/4885SMN1; SMN2 84/4885KMT2A 1533/4885
US-20160229831-A1 SUBSTITUTED 3-PHENYLPROPYLAMINE DERIVATIVES FOR THE TREATMENT OF OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, PSEN2, CLN6 SGMS2 3022/4885SMN1; SMN2 84/4885KMT2A 1533/4885
US-20080318947-A1 Inhibitors of Akt Activity PI4KB, PIK3CA, AKT2 SGMS2 3182/4885SMN1; SMN2 3299/4885KMT2A 1852/4885
US-20170022180-A1 SUBSTITUTED 3-PHENYLPROPYLAMINE DERIVATIVES FOR THE TREATMENT OF OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, PSEN2, CLN6 SGMS2 3022/4885SMN1; SMN2 84/4885KMT2A 1533/4885
US-20160151369-A1 SUBSTITUTED 3-PHENYLPROPYLAMINE DERIVATIVES FOR THE TREATMENT OF OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, PSEN2, CLN6 SGMS2 3022/4885SMN1; SMN2 84/4885KMT2A 1533/4885

“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.