SCHEMBL291076

SCHEMBL291076

C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](CO)C1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 1/20 0.43
▸ CHRM2 P08172 1/20 0.40
▸ CHRM1 P11229 1/20 0.40
▸ CHRM3 P20309 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.37
▸ HPGD P15428 1/20 0.36
▸ ATM Q13315 2/20 0.36
▸ SRC P12931 4/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL3421417 1.00 NR1H2 (0.43) NR1H2CHRM2CHRM1CHRM3HSD17B10
SCHEMBL10145373 0.88 ATM (0.39) NR1H2CHRM2CHRM1CHRM3HSD17B10
SCHEMBL23895462 0.88 CHRM2 (0.40) NR1H2CHRM2CHRM1CHRM3HSD17B10
SCHEMBL297706 0.87 CHRM2 (0.39) NR1H2CHRM2CHRM1CHRM3HSD17B10
SCHEMBL30314505 0.87 CHRM2 (0.39) NR1H2CHRM2CHRM1CHRM3HSD17B10
SCHEMBL71903 0.85 NR1H2 (0.45) NR1H2CHRM2CHRM1CHRM3HSD17B10
SCHEMBL71904 0.85 NR1H2 (0.45) NR1H2CHRM2CHRM1CHRM3HSD17B10
SCHEMBL283443 0.85 NR1H2 (0.45) NR1H2CHRM2CHRM1CHRM3HSD17B10
SCHEMBL24540373 0.85 CHRM2 (0.46) NR1H2CHRM2CHRM1CHRM3HSD17B10
SCHEMBL16042463 0.85 CHRM2 (0.46) NR1H2CHRM2CHRM1CHRM3HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8133908-B2 Heteroaryl derivatives of N-{[(1S,4S,6S)-3-(2-pyridinylcarbonyl)-3-azabicyclo[4.1.0]hept-4-yl]methyl}-2-amine GLAXO GROUP LIMITED (GB) 2012-03-13 — — US disclosed
US-20120040991-A1 3-AZABICYCLO [4.1.0] HEPTANES USED AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2012-02-16 — — US disclosed
US-20100168131-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-07-01 — — 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 (2 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-20100168131-A1 NOVEL COMPOUNDS HTR3B, HNMT, TPMT NR1H2 1715/4885CHRM2 225/4885CHRM1 209/4885
US-20120040991-A1 3-AZABICYCLO [4.1.0] HEPTANES USED AS OREXIN ANTAGONISTS HCRTR2, HCRTR1, NPY2R NR1H2 66/4885CHRM2 396/4885CHRM1 299/4885

“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.

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