SCHEMBL611996

SCHEMBL611996

CC(C)CC#Cc1cccc(OCCNC(=O)C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 2/20 0.46
MTNR1A P48039 4/20 0.43
MTNR1B P49286 4/20 0.43
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
ACACB O00763 1/20 0.41
POLB P06746 2/20 0.40
NSD2 O96028 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
BRD4 O60885 1/20 0.38
KMT2A Q03164 1/20 0.38
MAOB P27338 1/20 0.38
CASP3 P42574 1/20 0.38
SENP7 Q9BQF6 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
SCHEMBL613899 0.86 MTNR1A (0.43) MTNR1AMTNR1BPOLBSMN1; SMN2NPC1
SCHEMBL238013 0.86 KDM4E (0.43) MTNR1AMTNR1BKDM4EALDH1A1GAA
SCHEMBL236445 0.85 MTNR1A (0.46) MTNR1AMTNR1BALDH1A1ACACBPOLB
SCHEMBL2754699 0.85 CA12 (0.49) HAO1MTNR1AMTNR1BACACB
SCHEMBL236144 0.84 MTNR1A (0.45) MTNR1AMTNR1BALDH1A1ACACBPOLB
SCHEMBL611329 0.84 MTNR1A (0.41) HAO1MTNR1AMTNR1BPOLBSMN1; SMN2
SCHEMBL609883 0.83 MTNR1A (0.50) MTNR1AMTNR1BACACBPOLBSMN1; SMN2
SCHEMBL236937 0.83 CACNA1B (0.42) MTNR1AMTNR1BKMT2A
SCHEMBL236349 0.83 MTNR1A (0.42) MTNR1AMTNR1BKDM4EALDH1A1GAA
SCHEMBL612876 0.83 HAO1 (0.46) HAO1MTNR1AMTNR1BALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9452153-B2 Amine derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2016-09-27 US disclosed
US-20160193181-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2016-07-07 US disclosed
US-9056849-B2 Amine derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2015-06-16 US disclosed
US-20140323530-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2014-10-30 US disclosed
US-8716529-B2 Amine derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2014-05-06 US disclosed
US-8450527-B2 Amine derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2013-05-28 US disclosed
US-20120041038-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2012-02-16 US disclosed
US-20120041039-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2012-02-16 US disclosed
US-8076516-B2 Amine derivative compounds for treating ophthalmic diseases and disorders ACUCELA, INC. (US) 2011-12-13 US disclosed
US-20090281149-A1 Amine Derivative Compounds for Treating Ophthalmic Diseases and Disorders ACUCELA, INC. (US) 2009-11-12 US disclosed
EP-2111223-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS Acucela, Inc. (US) 2009-10-28 EP disclosed
WO-2009058216-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2009-05-07 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-20120041039-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT HAO1 2502/4885MTNR1A 48/4885MTNR1B 20/4885
US-20140323530-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT HAO1 2502/4885MTNR1A 48/4885MTNR1B 20/4885
US-20160193181-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT HAO1 2502/4885MTNR1A 48/4885MTNR1B 20/4885
US-20120041038-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT HAO1 2502/4885MTNR1A 48/4885MTNR1B 20/4885
US-20090281149-A1 Amine Derivative Compounds for Treating Ophthalmic Diseases and Disorders PDE6D, CLN6, AADAT HAO1 2502/4885MTNR1A 48/4885MTNR1B 20/4885

“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.