SCHEMBL7809928

SCHEMBL7809928

CC(C)(N)C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
FABP5 Q01469 3/20 0.48
FABP7 O15540 2/20 0.48
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
EPHX2 P34913 1/20 0.46
HTR2A P28223 1/20 0.42
CASP3 P42574 1/20 0.41
POLB P06746 1/20 0.40
MDM4 O15151 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL556956 0.89 KMT2A (0.51) KMT2AFABP5FABP7CA1CA2
SCHEMBL29456842 0.87 KMT2A (0.51) KMT2AFABP5FABP7CA1CA2
SCHEMBL10110895 0.87 KMT2A (0.51) KMT2AFABP5FABP7CA1CA2
SCHEMBL28309128 0.87 KMT2A (0.49) KMT2AFABP5FABP7CA1CA2
SCHEMBL15874406 0.87 KMT2A (0.49) KMT2AFABP5FABP7CA1CA2
SCHEMBL15874638 0.87 KMT2A (0.49) KMT2AFABP5FABP7CA1CA2
SCHEMBL29823515 0.85 KMT2A (0.50) KMT2AFABP5FABP7CA1CA2
SCHEMBL8453047 0.85 KMT2A (0.50) KMT2AFABP5FABP7CA1CA2
SCHEMBL23918256 0.84 KMT2A (0.49) KMT2AFABP5FABP7CA1CA2
SCHEMBL12128707 0.84 KMT2A (0.49) KMT2AFABP5FABP7CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367838-B2 Amines or amino alcohols as GLYT1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2013-02-05 US disclosed
US-20120232033-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS KOLCZEWSKI SABINE (DE) 2012-09-13 US disclosed
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS HOFFMANN-LA ROCHE, INC. 2010-08-19 US disclosed
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS HOFFMANN-LA ROCHE, INC. 2010-08-19 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 (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-20120232033-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS GFPT1, CEPT1, SLC18A2 KMT2A 397/4885FABP5 1955/4885FABP7 831/4885
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS GFPT1, CEPT1, SLC18A2 KMT2A 397/4885FABP5 1955/4885FABP7 831/4885

“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.