SCHEMBL2833402

SCHEMBL2833402

Cc1ccc(C(NC(=O)OC(C)(C)C)C(O)c2ccc(I)cc2)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
S1PR3 Q99500 3/20 0.35
CHRNA1 P02708 1/20 0.35
CHRNG P07510 1/20 0.35
CHRNB1 P11230 1/20 0.35
CHRNB2 P17787 1/20 0.35
SLC6A2 P23975 1/20 0.35
CHRNB4 P30926 1/20 0.35
SLC6A4 P31645 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
SLC6A3 Q01959 1/20 0.35
CHRND Q07001 1/20 0.35
AAK1 Q2M2I8 3/20 0.34
GAA P10253 2/20 0.34
PKM P14618 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL2832183 0.91 S1PR3 (0.35) MEN1KMT2AS1PR3AAK1GAA
SCHEMBL2834220 0.91 S1PR3 (0.42) S1PR3SLC6A2SLC6A4SLC6A3AAK1
SCHEMBL2834769 0.86 ALDH1A1 (0.41) MEN1KMT2AS1PR3AAK1ALDH1A1
SCHEMBL2837541 0.85 S1PR3 (0.38) S1PR3AAK1GAAPKMALDH1A1
SCHEMBL2839153 0.81 CHRNA1 (0.42) MEN1KMT2AS1PR3CHRNA1CHRNG
SCHEMBL2833102 0.81 KDM4D (0.42) MEN1KMT2AS1PR3ALDH1A1MAPT
SCHEMBL2838698 0.80 CYP3A4 (0.36) S1PR3AAK1ALDH1A1
SCHEMBL2837598 0.79 S1PR3 (0.42) S1PR3SLC6A2SLC6A4SLC6A3AAK1
SCHEMBL2837593 0.78 PDE2A (0.40) AAK1
SCHEMBL2834488 0.78 PPARG (0.42) MAPTCTSSCTSK

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 5 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
EP-2398558-A1 AMINE OR AMINO ALCOHOLS AS GLYT1 INHIBITORS F. Hoffmann-La Roche AG (CH) 2011-12-28 EP disclosed
WO-2010094659-A1 AMINE OR AMINO ALCOHOLS AS GLYT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-08-26 WO 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 MEN1 2588/4885KMT2A 397/4885S1PR3 2311/4885
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS GFPT1, CEPT1, SLC18A2 MEN1 2588/4885KMT2A 397/4885S1PR3 2311/4885

“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.