SCHEMBL2839153

SCHEMBL2839153

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 1/20 0.42
CHRNG P07510 1/20 0.42
CHRNB1 P11230 1/20 0.42
CHRNB2 P17787 1/20 0.42
SLC6A2 P23975 1/20 0.42
CHRNB4 P30926 1/20 0.42
SLC6A4 P31645 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA4 P43681 1/20 0.42
SLC6A3 Q01959 1/20 0.42
CHRND Q07001 1/20 0.42
S1PR3 Q99500 3/20 0.40
MDM2 Q00987 4/20 0.38
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
S1PR4 O95977 1/20 0.36
S1PR1 P21453 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
MEN1 O00255 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
SCHEMBL2833325 0.91 S1PR3 (0.40) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL2836642 0.91 S1PR3 (0.48) S1PR3MDM2CTSSCTSKS1PR4
SCHEMBL2836640 0.90 CHRNA1 (0.43) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL2832212 0.87 TRPA1 (0.41) S1PR3MDM2CTSSCTSKALDH1A1
SCHEMBL2836778 0.86 CHRNA1 (0.42) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL2834178 0.86 MDM2 (0.41) S1PR3MDM2CTSSCTSKS1PR1
SCHEMBL2835071 0.83 S1PR3 (0.41) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL2834723 0.82 S1PR3 (0.45) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL2833402 0.81 MEN1 (0.36) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL2835001 0.81 S1PR3 (0.48) S1PR3MDM2CTSSCTSKS1PR4

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 CHRNA1 406/4885CHRNG 1027/4885CHRNB1 676/4885
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS GFPT1, CEPT1, SLC18A2 CHRNA1 406/4885CHRNG 1027/4885CHRNB1 676/4885

“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.