SCHEMBL3545847

SCHEMBL3545847

CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)O)CCO1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 1/20 0.40
PDK1 Q15118 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
GAA P10253 1/20 0.38
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CTSL P07711 2/20 0.37
CTSB P07858 2/20 0.37
CTSD P07339 1/20 0.37
CTSS P25774 1/20 0.37
DRD2 P14416 1/20 0.35
NAMPT P43490 1/20 0.35
CKS1B P61024 1/20 0.35
SKP1 P63208 1/20 0.35
SKP2 Q13309 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
CTSK P43235 2/20 0.34

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
SCHEMBL4229109 1.00 HCRTR2 (0.40) HCRTR2PDK1MEN1KMT2AALDH1A1
SCHEMBL19182909 1.00 HCRTR2 (0.40) HCRTR2PDK1MEN1KMT2AALDH1A1
SCHEMBL8918034 0.86 F2 (0.38) HCRTR2PDK1MEN1KMT2AALDH1A1
SCHEMBL12021262 0.84 ACKR3 (0.44) HCRTR2MEN1KMT2AALDH1A1TSHR
SCHEMBL16020333 0.84 ACKR3 (0.44) HCRTR2MEN1KMT2AALDH1A1TSHR
SCHEMBL13492044 0.84 ACKR3 (0.44) HCRTR2MEN1KMT2AALDH1A1TSHR
SCHEMBL16827079 0.83 RECQL (0.48) HCRTR2MEN1KMT2AALDH1A1TSHR
SCHEMBL16036173 0.83 USP2 (0.46) PDK1MEN1KMT2AALDH1A1USP2
SCHEMBL16036171 0.83 USP2 (0.46) PDK1MEN1KMT2AALDH1A1USP2
SCHEMBL21166048 0.83 HCRTR2 (0.41) HCRTR2MEN1KMT2AALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7732461-B2 (4S)-4-({4-[(2,3-Dihydro[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)amino]-1-piperidinyl}methyl)-3-fluoro-4-hydroxy-4,5-dihydro-7H-pyrrolo[3,2,1-de]-1,5-naphthyridin-7-one, used in the treatment of bacterial infections caused by a wide range of organisms including both gramnegative and grampositive bacteria GLAXO GROUP LIMITED (GB) 2010-06-08 US disclosed
US-20090137568-A1 Tryclic Nitrogen Containing Compounds and their Use as Antibacterials GLAXO GROUP LIMITED 2009-05-28 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-20090137568-A1 Tryclic Nitrogen Containing Compounds and their Use as Antibacterials NRDC, NACA, ASNS HCRTR2 3045/4885PDK1 3943/4885MEN1 2224/4885

“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.