SCHEMBL297706

SCHEMBL297706

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

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ CHRM3 P20309 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.36
▸ NR1H2 P55055 1/20 0.36
▸ PDE8B O95263 1/20 0.36
▸ ATM Q13315 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ DPP4 P27487 1/20 0.34
▸ ALDH1A1 P00352 1/20 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
SCHEMBL30314505 1.00 CHRM2 (0.39) CHRM2CHRM1CHRM3HSD17B10NR1H2
SCHEMBL23895462 0.87 CHRM2 (0.40) CHRM2CHRM1CHRM3HSD17B10NR1H2
SCHEMBL291076 0.87 NR1H2 (0.43) CHRM2CHRM1CHRM3HSD17B10NR1H2
SCHEMBL3421417 0.87 NR1H2 (0.43) CHRM2CHRM1CHRM3HSD17B10NR1H2
SCHEMBL1630475 0.86 HTT (0.43) CHRM2CHRM1CHRM3HSD17B10PDE8B
SCHEMBL1398690 0.86 HTT (0.43) CHRM2CHRM1CHRM3HSD17B10PDE8B
SCHEMBL1630474 0.86 HTT (0.43) CHRM2CHRM1CHRM3HSD17B10PDE8B
SCHEMBL10215607 0.85 CHRM2 (0.39) CHRM2CHRM1CHRM3HSD17B10NR1H2
SCHEMBL5504108 0.85 CHRM2 (0.45) CHRM2CHRM1CHRM3HSD17B10NR1H2
SCHEMBL29345090 0.85 NR1H2 (0.41) CHRM2CHRM1CHRM3NR1H2

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-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-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 (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-20100168131-A1 NOVEL COMPOUNDS HTR3B, HNMT, TPMT CHRM2 225/4885CHRM1 209/4885CHRM3 70/4885

“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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