SCHEMBL10246530

SCHEMBL10246530

C=C(C)CN1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.52
CHRM4 P08173 1/20 0.52
CHRM1 P11229 1/20 0.52
CHRM3 P20309 1/20 0.52
USP2 O75604 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TERT O14746 1/20 0.44
HPGD P15428 1/20 0.42
EPHX2 P34913 1/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
DTYMK P23919 1/20 0.40
MAPT P10636 2/20 0.40
RECQL P46063 1/20 0.40
NPC1 O15118 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL10246569 0.94 CHRM2 (0.48) CHRM2CHRM4CHRM1CHRM3USP2
SCHEMBL6635750 0.86 CHRM2 (0.55) CHRM2CHRM4CHRM1CHRM3USP2
SCHEMBL12735270 0.86 CHRM2 (0.55) CHRM2CHRM4CHRM1CHRM3USP2
SCHEMBL10283320 0.85 ALDH1A1 (0.52) CHRM2CHRM4CHRM1CHRM3USP2
Hydrochloric Acid SCHEMBL11340699 0.85 CHRM2 (0.53) CHRM2CHRM4CHRM1CHRM3USP2
SCHEMBL17313885 0.83 CHRM2 (0.55) CHRM2CHRM4CHRM1CHRM3USP2
SCHEMBL31505409 0.83 CHRM2 (0.55) CHRM2CHRM4CHRM1CHRM3USP2
SCHEMBL5604673 0.83 CHRM2 (0.55) CHRM2CHRM4CHRM1CHRM3USP2
SCHEMBL15315922 0.83 CHRM2 (0.55) CHRM2CHRM4CHRM1CHRM3USP2
SCHEMBL578032 0.83 CHRM2 (0.55) CHRM2CHRM4CHRM1CHRM3USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120041193-A1 SUBSTITUTED INTERNAL VINYL-BORONIC ACIDS AND BORONIC ACID DERIVATIVES FRONTIER SCIENTIFIC, INC. (US) 2012-02-16 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 (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-20120041193-A1 SUBSTITUTED INTERNAL VINYL-BORONIC ACIDS AND BORONIC ACID DERIVATIVES BLVRB, BTD, BCL6B CHRM2 4581/4885CHRM4 4573/4885CHRM1 4682/4885

“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.