SCHEMBL2339284

SCHEMBL2339284

CCCO[C@]1(C(=O)O)CCCN1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
ARG1 P05089 1/20 0.34
ARG2 P78540 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP2D6 P10635 2/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL7340984 0.85 ARG1 (0.36) ARG1ARG2MEN1KMT2ACYP2D6
SCHEMBL6547926 0.84 MEN1 (0.37) TSHRARG1ARG2MEN1KMT2A
SCHEMBL18985191 0.77 CYP2D6 (0.33) ARG1ARG2CYP2D6SLC6A2SLC6A4
SCHEMBL7435814 0.77 MGAM (0.34) TSHRARG1ARG2MEN1KMT2A
SCHEMBL7338385 0.75 ARG1 (0.35) ARG1ARG2
SCHEMBL7338721 0.75 ARG1 (0.35) ARG1ARG2
SCHEMBL7339530 0.74 TDP1 (0.39) TSHRMEN1KMT2ASLC6A2SLC6A4
SCHEMBL7340979 0.74 ARG1 (0.33) ARG1ARG2
SCHEMBL7349345 0.74 SLC1A3 (0.35) TSHRARG1ARG2
SCHEMBL27503472 0.71

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
EP-1901775-B1 KININ ANTAGONISTS FOR TREATING BLADDER DYSFUNCTION JERINI AG (DE) 2011-08-24 EP disclosed
US-20080221039-A1 Kinin Antagonists For Treating Bladder Dysfunction JERINI AG (DE) 2008-09-11 US disclosed
EP-1901775-A2 KININ ANTAGONISTS FOR TREATING BLADDER DYSFUNCTION Jerini AG (DE) 2008-03-26 EP disclosed
WO-2007003411-A2 KININ ANTAGONISTS FOR TREATING BLADDER DYSFUNCTION JERINI AG (DE) 2007-01-11 WO disclosed
EP-1741444-A1 Kinin antagonists for treating bladder dysfunction Jerini AG (DE) 2007-01-10 EP 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 (1 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-20080221039-A1 Kinin Antagonists For Treating Bladder Dysfunction BDKRB2, BDKRB1, F2R TSHR 1755/4885ARG1 968/4885ARG2 797/4885

“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.