SCHEMBL2809501

SCHEMBL2809501

CC(C)(C)OC(=O)N[C@@]1(C(=O)OCCc2ccccc2)CCOC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40
IDO1 P14902 1/20 0.39
GHSR Q92847 1/20 0.38
TLR2 O60603 1/20 0.38
TLR1 Q15399 1/20 0.38
SIGMAR1 Q99720 3/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
AKT1 P31749 2/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 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
SCHEMBL3768807 0.89 SYK (0.43) CA12CA1CA7CA14IDO1
SCHEMBL3777862 0.80 CTSK (0.35) CA12CA1GHSRTLR2TLR1
SCHEMBL3777857 0.80 CTSK (0.35) CA12CA1GHSRTLR2TLR1
SCHEMBL13012358 0.78 PIK3CD (0.33) GHSRCTSS
SCHEMBL2809523 0.77 BDKRB1 (0.40) KMT2AL3MBTL1LMNATSHRCYP2C19
SCHEMBL2809517 0.77 BDKRB1 (0.40) KMT2AL3MBTL1LMNATSHRCYP2C19
SCHEMBL14463166 0.76 GAA (0.35) GHSRCTSSKMT2ACYP2C19
SCHEMBL2535173 0.76 SYK (0.49) CA12CA1CA7CA14IDO1
SCHEMBL13012340 0.76 TMIGD3 (0.35) KMT2ALMNATSHRCYP2C19ALDH1A1
SCHEMBL2566097 0.75 GAA (0.36) GHSRCTSSCTSKKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130131075-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-23 US disclosed
EP-2401256-B1 Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT (DE) 2013-04-17 EP disclosed
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 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-20130131075-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 CA12 1413/4885CA1 664/4885CA7 618/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 CA12 1413/4885CA1 664/4885CA7 618/4885

“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.