SCHEMBL2835273

SCHEMBL2835273

CC(C)(C)OC(=O)NC(C(=O)c1ccc(OCC2CCOCC2)cc1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 2/20 0.43
ACACB O00763 9/20 0.41
MCHR1 Q99705 1/20 0.39
BCL2L1 Q07817 1/20 0.37
MCL1 Q07820 1/20 0.37
CCR2 P41597 1/20 0.36
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
MDM2 Q00987 1/20 0.35
P2RX3 P56373 1/20 0.35
P2RX2 Q9UBL9 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
SCHEMBL2838253 0.94 S1PR3 (0.46) S1PR3ACACBBCL2L1MCL1HRH2
SCHEMBL2832356 0.83 S1PR3 (0.42) S1PR3ACACBMDM2P2RX3P2RX2
SCHEMBL2836702 0.81 S1PR3 (0.44) S1PR3ACACBMCL1HRH2HRH1
SCHEMBL2834042 0.81 S1PR3 (0.48) S1PR3ACACBMDM2
SCHEMBL2836845 0.81 S1PR3 (0.47) S1PR3MDM2
SCHEMBL2835645 0.80 ACACB (0.41) S1PR3ACACB
SCHEMBL2837772 0.79 S1PR3 (0.44) S1PR3ACACBP2RX3P2RX2
SCHEMBL2833252 0.79 S1PR3 (0.46) S1PR3ACACBHRH2HRH1MDM2
Hydrochloric Acid SCHEMBL2839529 0.78 PARP15 (0.43) ACACBMCHR1BCL2L1MCL1CCR2
SCHEMBL2835001 0.78 S1PR3 (0.48) S1PR3MDM2

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 S1PR3 2311/4885ACACB 996/4885MCHR1 1023/4885
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS GFPT1, CEPT1, SLC18A2 S1PR3 2311/4885ACACB 996/4885MCHR1 1023/4885

“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.