SCHEMBL2833228

SCHEMBL2833228

CC(=O)N1CCC(Oc2ccc(C(=O)C(NC(=O)OC(C)(C)C)c3ccc(Cl)c(Cl)c3)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 1/20 0.43
ACACB O00763 4/20 0.40
HRH1 P35367 5/20 0.39
CCR3 P51677 5/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
CHEK2 O96017 2/20 0.39
GPR119 Q8TDV5 2/20 0.38
EPHX2 P34913 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
F10 P00742 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2J2 P51589 1/20 0.38

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
SCHEMBL2838367 0.86 S1PR3 (0.43) S1PR3ACACBHRH1CCR3KMT2A
SCHEMBL2838790 0.86 S1PR3 (0.42) S1PR3ACACBKMT2AMEN1EPHX2
SCHEMBL2832356 0.83 S1PR3 (0.42) S1PR3ACACBF10PRSS1PRSS2
SCHEMBL2835645 0.81 ACACB (0.41) S1PR3ACACBF10PRSS1PRSS2
Hydrochloric Acid SCHEMBL2834003 0.80 CHEK2 (0.45) ACACBHRH1CCR3KMT2AMEN1
SCHEMBL2838253 0.79 S1PR3 (0.46) S1PR3ACACBHRH1
SCHEMBL2839888 0.78 CACNA1B (0.46) S1PR3ACACBEPHX2LMNAMAPT
SCHEMBL2834857 0.78 ACACB (0.42) S1PR3ACACBF10PRSS1PRSS2
SCHEMBL2835001 0.78 S1PR3 (0.48) S1PR3LMNACYP2C9
SCHEMBL2833789 0.78 CACNA1B (0.46) S1PR3ACACBEPHX2LMNAMAPT

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 996/4885HRH1 764/4885
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS GFPT1, CEPT1, SLC18A2 S1PR3 2311/4885ACACB 996/4885HRH1 764/4885

“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.