SCHEMBL2157996

SCHEMBL2157996

[2H]C([2H])(N)CC(O)c1cccc(N)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPN1 P15169 1/20 0.44
CPB2 Q96IY4 1/20 0.44
PNMT P11086 1/20 0.41
CYP3A4 P08684 5/20 0.39
RECQL P46063 3/20 0.39
CASP1 P29466 1/20 0.39
TDP1 Q9NUW8 3/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
CA12 O43570 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
IDO1 P14902 1/20 0.36
SLC6A3 Q01959 4/20 0.35
CYP2D6 P10635 3/20 0.35
SLC6A2 P23975 3/20 0.35
SLC6A4 P31645 3/20 0.35
KCNH2 Q12809 2/20 0.35

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
SCHEMBL13323806 0.85 CPN1 (0.46) CPN1CPB2PNMTCYP3A4RECQL
SCHEMBL28025342 0.81 CPN1 (0.46) CPN1CPB2PNMTCYP3A4RECQL
SCHEMBL7146456 0.80 PNMT (0.59) CPN1CPB2PNMTCYP3A4RECQL
SCHEMBL4609249 0.80 PNMT (0.59) CPN1CPB2PNMTCYP3A4RECQL
SCHEMBL5452511 0.80 RIPK1 (0.52) SLC6A3SLC6A2SLC6A4LMNATAAR1
SCHEMBL10237031 0.80 RIPK1 (0.52) SLC6A3SLC6A2SLC6A4LMNATAAR1
Hydrochloric Acid SCHEMBL2157900 0.80 CPN1 (0.42) CPN1CPB2PNMTCYP3A4RECQL
SCHEMBL9158459 0.79 CPN1 (0.45) CPN1CPB2PNMTCYP3A4RECQL
SCHEMBL15178195 0.79 CPN1 (0.45) CPN1CPB2PNMTCYP3A4RECQL
SCHEMBL9158456 0.79 CPN1 (0.45) CPN1CPB2PNMTCYP3A4RECQL

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
EP-2340242-A2 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS Acucela, Inc. (US) 2011-07-06 EP disclosed
US-20100113539-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-05-06 US disclosed
WO-2010048332-A2 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-04-29 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 (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 CPN1 4601/4885CPB2 3427/4885PNMT 3259/4885
US-20160145198-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 CPN1 4601/4885CPB2 3427/4885PNMT 3259/4885
US-20140228443-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 CPN1 4601/4885CPB2 3427/4885PNMT 3259/4885

“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.