SCHEMBL16031808

SCHEMBL16031808

CC(C)(C)OC(=O)NCC[C@@H](O)c1cccc(OS(=O)(=O)C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.40
MTNR1B P49286 3/20 0.40
NQO2 P16083 1/20 0.40
CA1 P00915 7/20 0.39
CA2 P00918 7/20 0.39
CA12 O43570 5/20 0.39
CA9 Q16790 5/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
MALT1 Q9UDY8 1/20 0.39
GABRB1 P18505 1/20 0.38
GABRB2 P47870 1/20 0.38
GPR88 Q9GZN0 1/20 0.38
PDK2 Q15119 1/20 0.38

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
SCHEMBL16031810 1.00 MTNR1A (0.40) MTNR1AMTNR1BNQO2CA1CA2
SCHEMBL12432788 0.84 MTNR1A (0.40) MTNR1AMTNR1B
SCHEMBL13997818 0.84 MTNR1A (0.53) MTNR1AMTNR1BNQO2MEN1KMT2A
SCHEMBL27840637 0.81 L3MBTL1 (0.43) MTNR1AMTNR1BNQO2CA1CA2
SCHEMBL20764686 0.81 PNMT (0.49) NQO2
SCHEMBL16031452 0.81 KMT2A (0.48) MEN1KMT2APDK2
SCHEMBL16031455 0.81 KMT2A (0.48) MEN1KMT2APDK2
SCHEMBL6237655 0.81 CTSS (0.45) NQO2CA1CA2MEN1GAA
SCHEMBL781652 0.80 NQO2 (0.47) NQO2CA1CA2CA12CA9
SCHEMBL16084764 0.80 RIPK1 (0.53) MTNR1AMTNR1BMEN1GAAKMT2A

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 10 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-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-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-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
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 MTNR1A 22/4885MTNR1B 29/4885NQO2 1334/4885
US-20160229831-A1 SUBSTITUTED 3-PHENYLPROPYLAMINE DERIVATIVES FOR THE TREATMENT OF OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, PSEN2, CLN6 MTNR1A 22/4885MTNR1B 29/4885NQO2 1334/4885
US-20170022180-A1 SUBSTITUTED 3-PHENYLPROPYLAMINE DERIVATIVES FOR THE TREATMENT OF OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, PSEN2, CLN6 MTNR1A 22/4885MTNR1B 29/4885NQO2 1334/4885
US-20160151369-A1 SUBSTITUTED 3-PHENYLPROPYLAMINE DERIVATIVES FOR THE TREATMENT OF OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, PSEN2, CLN6 MTNR1A 22/4885MTNR1B 29/4885NQO2 1334/4885

“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.