SCHEMBL10246569

SCHEMBL10246569

C=C(C)CN1CCCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.48
CHRM4 P08173 1/20 0.48
CHRM1 P11229 1/20 0.48
CHRM3 P20309 1/20 0.48
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
HPGD P15428 1/20 0.44
USP2 O75604 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 2/20 0.41
TERT O14746 1/20 0.41
CTSK P43235 1/20 0.40
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40
SKP2 Q13309 1/20 0.40
EPHX1 P07099 1/20 0.40
PARP1 P09874 1/20 0.39
ALDH1A1 P00352 2/20 0.39
EPHX2 P34913 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
SCHEMBL10246530 0.94 CHRM2 (0.52) CHRM2CHRM4CHRM1CHRM3MEN1
SCHEMBL5539461 0.88 CHRM2 (0.50) CHRM2CHRM4CHRM1CHRM3MEN1
SCHEMBL10283318 0.87 CHRM2 (0.47) CHRM2CHRM4CHRM1CHRM3MEN1
SCHEMBL25131804 0.84 CHRM2 (0.49) CHRM2CHRM4CHRM1CHRM3MEN1
SCHEMBL15265090 0.81 GAA (0.56) CHRM2CHRM4CHRM1CHRM3MEN1
SCHEMBL2904258 0.81 MEN1 (0.50) CHRM2CHRM4CHRM1CHRM3MEN1
SCHEMBL12735270 0.81 CHRM2 (0.55) CHRM2CHRM4CHRM1CHRM3MEN1
SCHEMBL6635750 0.81 CHRM2 (0.55) CHRM2CHRM4CHRM1CHRM3MEN1
SCHEMBL16612394 0.80 USP2 (0.62) MEN1KMT2AHPGDUSP2SMN1; SMN2
SCHEMBL20338357 0.80 CHRM2 (0.58) CHRM2CHRM4CHRM1CHRM3MEN1

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.