SCHEMBL612876

SCHEMBL612876

O=C(NCCOc1cccc(C#CCc2ccccc2)c1)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 2/20 0.46
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
EGFR P00533 1/20 0.44
ERBB2 P04626 1/20 0.44
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.41
BRD4 O60885 1/20 0.41
KMT2A Q03164 1/20 0.41
F10 P00742 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 1/20 0.41
CASP3 P42574 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
RECQL P46063 1/20 0.41

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
SCHEMBL612792 0.90 TAAR1 (0.43) MTNR1AMTNR1BNPC1RAB9AHPGD
SCHEMBL609883 0.89 MTNR1A (0.50) MTNR1AMTNR1BNPC1RAB9AHPGD
SCHEMBL613899 0.87 MTNR1A (0.43) MTNR1AMTNR1BNPC1RAB9AHPGD
SCHEMBL611329 0.85 MTNR1A (0.41) HAO1MTNR1AMTNR1BNPC1RAB9A
SCHEMBL236445 0.84 MTNR1A (0.46) MTNR1AMTNR1BNPC1RAB9AHPGD
SCHEMBL233621 0.84 CA12 (0.49) HAO1MTNR1AMTNR1BNPC1RAB9A
SCHEMBL611996 0.83 HAO1 (0.46) HAO1MTNR1AMTNR1BNPC1RAB9A
SCHEMBL235498 0.83 CHRNB4 (0.44) MTNR1AMTNR1BNPC1RAB9AHPGD
SCHEMBL236144 0.83 MTNR1A (0.45) MTNR1AMTNR1BNPC1RAB9AHPGD
SCHEMBL236350 0.82 F10 (0.40) MTNR1AMTNR1BNPC1RAB9AHPGD

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 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.