SCHEMBL14979602

SCHEMBL14979602

CC(C)(CO)Cc1cccc(CCCNC(=O)OC(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
MTNR1A P48039 2/20 0.44
MTNR1B P49286 2/20 0.44
NQO2 P16083 1/20 0.44
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
ATM Q13315 1/20 0.43
POLB P06746 1/20 0.43
IDO1 P14902 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL610784 0.85 TDP1 (0.62) SIGMAR1TDP1MTNR1AMTNR1BNQO2
SCHEMBL3131556 0.84 SIGMAR1 (0.48) SIGMAR1TDP1MTNR1AMTNR1BNQO2
SCHEMBL16155837 0.82 MAPT (0.59) SIGMAR1TDP1MTNR1AMTNR1BNQO2
SCHEMBL7283887 0.82 NQO2 (0.56) SIGMAR1TDP1MTNR1AMTNR1BNQO2
SCHEMBL611246 0.81 MTNR1A (0.48) SIGMAR1MTNR1AMTNR1BNQO2CYP3A4
SCHEMBL611591 0.81 SIGMAR1 (0.49) SIGMAR1MTNR1AMTNR1BNQO2CYP3A4
SCHEMBL610634 0.81 KMT2A (0.48) SIGMAR1TDP1MTNR1AMTNR1BNQO2
SCHEMBL612634 0.81 CTSB (0.52) SIGMAR1TDP1MTNR1AMTNR1BNQO2
SCHEMBL11952529 0.81 KDM4E (0.58) SIGMAR1TDP1MTNR1AMTNR1BCYP3A4
SCHEMBL611537 0.81 SIGMAR1 (0.48) SIGMAR1TDP1MTNR1AMTNR1BNQO2

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 6 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-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-8076516-B2 Amine derivative compounds for treating ophthalmic diseases and disorders ACUCELA, INC. (US) 2011-12-13 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 (1 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-20140323530-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT SIGMAR1 1415/4885TDP1 551/4885MTNR1A 48/4885

“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.