SCHEMBL2834857

SCHEMBL2834857

Cc1ccc(C(NC(=O)OC(C)(C)C)C(=O)c2ccc(OC3CCOC3)cc2)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACACB O00763 9/20 0.42
F2 P00734 5/20 0.38
F10 P00742 5/20 0.38
PRSS1 P07477 5/20 0.38
PRSS2 P07478 5/20 0.38
F7 P08709 5/20 0.38
F3 P13726 5/20 0.38
PRSS3 P35030 5/20 0.38
PDE4D Q08499 1/20 0.38
P2RX3 P56373 2/20 0.36
P2RX2 Q9UBL9 2/20 0.36
GRM5 P41594 2/20 0.36
S1PR3 Q99500 1/20 0.36

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
SCHEMBL2835645 0.95 ACACB (0.41) ACACBF2F10PRSS1PRSS2
SCHEMBL2832356 0.93 S1PR3 (0.42) ACACBF2F10PRSS1PRSS2
SCHEMBL2842329 0.84 ALDH1A1 (0.38) ACACBF2F10PRSS1PRSS2
SCHEMBL2832311 0.83 ACACB (0.42) ACACBF2F10PRSS1PRSS2
SCHEMBL2834803 0.83 S1PR3 (0.44) ACACBF2F10PRSS1PRSS2
SCHEMBL2835006 0.81 S1PR3 (0.42) P2RX3P2RX2S1PR3
SCHEMBL2833250 0.81 S1PR3 (0.44) ACACBP2RX3P2RX2GRM5S1PR3
SCHEMBL2834066 0.81 S1PR3 (0.43) ACACBF2F10PRSS1PRSS2
SCHEMBL2837092 0.80 S1PR3 (0.42) ACACBPDE4DP2RX3P2RX2GRM5
Hydrochloric Acid SCHEMBL2839130 0.80 ACACB (0.42) ACACBF2F10PRSS1PRSS2

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 ACACB 996/4885F2 3652/4885F10 3413/4885
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS GFPT1, CEPT1, SLC18A2 ACACB 996/4885F2 3652/4885F10 3413/4885

“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.