SCHEMBL3131541

SCHEMBL3131541

[2H]c1ccc(Br)cc1C(O)CCNC(=O)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.36
CNR2 P34972 3/20 0.36
MTNR1A P48039 4/20 0.36
MTNR1B P49286 4/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TOP1 P11387 1/20 0.34
TOP2A P11388 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL2754703 0.90 CNR1 (0.41) CNR1CNR2MTNR1AMTNR1BALDH1A1
SCHEMBL236921 0.90 CNR1 (0.41) CNR1CNR2MTNR1AMTNR1BALDH1A1
SCHEMBL3133088 0.86 CNR1 (0.40) CNR1CNR2MTNR1AMTNR1BALDH1A1
SCHEMBL2151059 0.80 MTNR1A (0.38) MTNR1AMTNR1BALDH1A1POLBSMN1; SMN2
SCHEMBL2150790 0.80 KDM4E (0.35) MTNR1AMTNR1B
SCHEMBL611519 0.79 ALDH1A1 (0.38) CNR1CNR2MTNR1AMTNR1BALDH1A1
SCHEMBL4177777 0.78 ALDH1A1 (0.37) CNR1CNR2MTNR1AMTNR1BALDH1A1
SCHEMBL237832 0.78 ALDH1A1 (0.37) CNR1CNR2MTNR1AMTNR1BALDH1A1
SCHEMBL2204623 0.78 CNR1 (0.51) CNR1CNR2MTNR1AMTNR1BALDH1A1
SCHEMBL236805 0.78 CNR1 (0.51) CNR1CNR2MTNR1AMTNR1BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160145198-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2016-05-26 US disclosed
US-9193669-B2 Compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2015-11-24 US disclosed
US-20140228443-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2014-08-14 US disclosed
US-8674137-B2 Compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2014-03-18 US disclosed
US-8674137-B2 Compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2014-03-18 US disclosed
US-20100113539-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-05-06 US disclosed
US-20100113539-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-05-06 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 (3 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-20100113539-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 CNR1 1956/4885CNR2 2292/4885MTNR1A 86/4885
US-20160145198-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 CNR1 1956/4885CNR2 2292/4885MTNR1A 86/4885
US-20140228443-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 CNR1 1956/4885CNR2 2292/4885MTNR1A 86/4885

“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.