SCHEMBL2837593

SCHEMBL2837593

CC(C)(C)OC(=O)NC(c1ccc(C(F)(F)F)c(F)c1)C(O)c1ccc(I)cc1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 16/20 0.40
CXCR2 P25025 1/20 0.36
AAK1 Q2M2I8 1/20 0.35
TRPM8 Q7Z2W7 1/20 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
SCHEMBL2834769 0.87 ALDH1A1 (0.41) AAK1
SCHEMBL2837541 0.86 S1PR3 (0.38) AAK1
SCHEMBL2834488 0.83 PPARG (0.42) PDE2A
SCHEMBL2832196 0.82 CYP11B2 (0.41) PDE2AAAK1
SCHEMBL2837740 0.82 TRPA1 (0.40) PDE2ATRPM8
SCHEMBL2838260 0.81 TRPV1 (0.41) PDE2AAAK1TRPM8
SCHEMBL2834220 0.80 S1PR3 (0.42) AAK1
SCHEMBL2833402 0.78 MEN1 (0.36) AAK1
SCHEMBL2832183 0.78 S1PR3 (0.35) AAK1
SCHEMBL2833280 0.77 S1PR3 (0.42) AAK1

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 PDE2A 1810/4885CXCR2 4796/4885AAK1 1304/4885
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS GFPT1, CEPT1, SLC18A2 PDE2A 1810/4885CXCR2 4796/4885AAK1 1304/4885

“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.