SCHEMBL10316495

SCHEMBL10316495

CCN(CC)c1ccc([C@H](CO)NC(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.58
TSHR P16473 1/20 0.58
CNR2 P34972 10/20 0.54
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
NOX1 Q9Y5S8 1/20 0.46
RIPK1 Q13546 1/20 0.46
MAPT P10636 1/20 0.44
GRK6 P43250 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
SCHEMBL10316494 0.81 GPR88 (0.46) ALDH1A1TSHRCNR2MEN1KMT2A
SCHEMBL27888279 0.80 CNR2 (0.52) ALDH1A1TSHRCNR2NPC1RAB9A
SCHEMBL12805655 0.80 CNR2 (0.52) ALDH1A1TSHRCNR2NPC1RAB9A
SCHEMBL25295633 0.80 LMNA (0.51) ALDH1A1CNR2MEN1KMT2ARIPK1
SCHEMBL25295634 0.80 LMNA (0.51) ALDH1A1CNR2MEN1KMT2ARIPK1
SCHEMBL15229201 0.76 RIPK1 (0.45) RIPK1
SCHEMBL21839155 0.76 RIPK1 (0.45) RIPK1
SCHEMBL25353842 0.76 RIPK1 (0.45) RIPK1
SCHEMBL3311541 0.76 RIPK1 (0.60) ALDH1A1RIPK1
SCHEMBL668277 0.76 RIPK1 (0.60) ALDH1A1RIPK1

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-9650362-B2 Inhibitors PROBIODRUG AG (DE) 2017-05-16 US disclosed
US-20160039795-A1 NOVEL INHIBITORS VIVORYON THERAPEUTICS N.V. (DE) 2016-02-11 US disclosed
US-9173885-B2 Inhibitors PROBIODRUG AG (DE) 2015-11-03 US disclosed
EP-2475428-B1 HETEROCYLCIC DERIVATIVES AS INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2015-07-01 EP disclosed
US-20140065095-A1 NOVEL INHIBITORS VIVORYON THERAPEUTICS N.V. (DE) 2014-03-06 US disclosed
US-8486940-B2 Inhibitors PROBIODRUG AG (DE) 2013-07-16 US disclosed
EP-2475428-A1 HETEROCYLCIC DERIVATIVES AS INHIBITORS OF GLUTAMINYL CYCLASE Probiodrug AG (DE) 2012-07-18 EP 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 (2 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-20160039795-A1 NOVEL INHIBITORS GLUL, QPCT, GLS ALDH1A1 2195/4885TSHR 2954/4885CNR2 2749/4885
US-20140065095-A1 NOVEL INHIBITORS GLUL, QPCT, GLS ALDH1A1 2195/4885TSHR 2954/4885CNR2 2749/4885

“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.