SCHEMBL116263

SCHEMBL116263

COC(=O)[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
EPHX1 P07099 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HPGD P15428 1/20 0.38
PREP P48147 1/20 0.38
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
PTPN1 P18031 1/20 0.37
USP2 O75604 1/20 0.37

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
SCHEMBL883033 1.00 CHRM2 (0.41) CHRM2CHRM1CHRM3EPHX1HSD17B10
SCHEMBL30181039 1.00 CHRM2 (0.41) CHRM2CHRM1CHRM3EPHX1HSD17B10
SCHEMBL21137023 1.00 CHRM2 (0.41) CHRM2CHRM1CHRM3EPHX1HSD17B10
SCHEMBL19207081 0.91 SMN1; SMN2 (0.46) EPHX1HSD17B10HPGDPREPALDH1A1
SCHEMBL17068138 0.86 NR1H2 (0.43) CHRM2CHRM1CHRM3EPHX1HSD17B10
SCHEMBL29860555 0.86 NR1H2 (0.43) CHRM2CHRM1CHRM3EPHX1HSD17B10
SCHEMBL8304417 0.86 CHRM2 (0.41) CHRM2CHRM1CHRM3EPHX1HSD17B10
SCHEMBL91558 0.86 CHRM2 (0.41) CHRM2CHRM1CHRM3EPHX1HSD17B10
SCHEMBL20729579 0.86 CHRM2 (0.41) CHRM2CHRM1CHRM3EPHX1HSD17B10
SCHEMBL72827 0.86 CHRM2 (0.41) CHRM2CHRM1CHRM3EPHX1HSD17B10

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-20120058989-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS ACHAOGEN, INC. (US) 2012-03-08 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-20120058989-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS RECQL, BLVRB, NQO2 CHRM2 915/4885CHRM1 508/4885CHRM3 1303/4885

“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.