SCHEMBL612869

SCHEMBL612869

COc1ccccc1C#Cc1cccc(OCCNC(=O)C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
KMT2A Q03164 3/20 0.47
BRD4 O60885 1/20 0.47
MTNR1A P48039 3/20 0.46
MTNR1B P49286 3/20 0.46
GAA P10253 2/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 1/20 0.44
PTGES O14684 1/20 0.44
NPC1 O15118 1/20 0.44
RECQL P46063 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL609883 0.86 MTNR1A (0.50) KMT2ABRD4MTNR1AMTNR1BSMN1; SMN2
SCHEMBL235625 0.85 CA12 (0.47) ALDH1A1KMT2ABRD4MTNR1AMTNR1B
SCHEMBL236445 0.81 MTNR1A (0.46) ALDH1A1KMT2ABRD4MTNR1AMTNR1B
SCHEMBL236144 0.81 MTNR1A (0.45) ALDH1A1KMT2ABRD4MTNR1AMTNR1B
SCHEMBL612574 0.81 PTGES (0.44) MTNR1AMTNR1BPTGES
SCHEMBL236249 0.80 HAO1 (0.44) KMT2ABRD4MTNR1AMTNR1BLMNA
SCHEMBL613899 0.80 MTNR1A (0.43) KMT2ABRD4MTNR1AMTNR1BSMN1; SMN2
SCHEMBL612876 0.79 HAO1 (0.46) ALDH1A1KMT2ABRD4MTNR1AMTNR1B
SCHEMBL237111 0.79 ACACB (0.46) ALDH1A1KMT2ABRD4MTNR1AMTNR1B
SCHEMBL612172 0.79 ABCB1 (0.54) ALDH1A1MTNR1AMTNR1B

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-20120041039-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2012-02-16 US disclosed
US-20120041038-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 ALDH1A1 641/4885KMT2A 1037/4885BRD4 428/4885
US-20140323530-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT ALDH1A1 641/4885KMT2A 1037/4885BRD4 428/4885
US-20160193181-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT ALDH1A1 641/4885KMT2A 1037/4885BRD4 428/4885
US-20120041038-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT ALDH1A1 641/4885KMT2A 1037/4885BRD4 428/4885
US-20090281149-A1 Amine Derivative Compounds for Treating Ophthalmic Diseases and Disorders PDE6D, CLN6, AADAT ALDH1A1 641/4885KMT2A 1037/4885BRD4 428/4885

“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.