SCHEMBL3319442

SCHEMBL3319442

CCOC(=O)C1CCN2CCC1C2

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 3/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ CHRM1 P11229 1/20 0.42
▸ MAPT P10636 2/20 0.41
▸ ALDH1A1 P00352 4/20 0.40
▸ LMNA P02545 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39

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
SCHEMBL3317652 0.92 ALDH1A1 (0.43) ALDH1A1L3MBTL1NPSR1HSD17B10
SCHEMBL7330432 0.90 CHRM1 (0.42) CHRM2CHRM1MAPTALDH1A1
SCHEMBL9696817 0.88 ALDH1A1 (0.46) CHRM2MEN1CYP2D6KMT2ACHRM1
SCHEMBL9400765 0.82 CHRM1 (0.42) CHRM1MAPTALDH1A1LMNAL3MBTL1
SCHEMBL9400768 0.82 CHRM1 (0.42) CHRM1MAPTALDH1A1LMNAL3MBTL1
SCHEMBL9698264 0.80 ALDH1A1 (0.44) MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL21095888 0.74 CHRM1 (0.38) CHRM2CHRM1MAPTALDH1A1
SCHEMBL10570225 0.73 ALDH1A1 (0.41) ALDH1A1L3MBTL1NPSR1HSD17B10
SCHEMBL10088039 0.72 PPM1B (0.47) MEN1CYP2D6KMT2AMAPTALDH1A1
SCHEMBL6900672 0.72 PPM1B (0.47) MEN1CYP2D6KMT2AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367696-B2 Aza-bridged-ring compound ASTELLAS PHARMA INC. (JP) 2013-02-05 — — US disclosed
US-8367696-B2 Aza-bridged-ring compound ASTELLAS PHARMA INC. (JP) 2013-02-05 — — US disclosed
US-8367696-B2 Aza-bridged-ring compound ASTELLAS PHARMA INC. (JP) 2013-02-05 — — US disclosed
US-20100105658-A1 AZA-BRIDGED-RING COMPOUND ASTELLAS PHARMA INC. (JP) 2010-04-29 — — US disclosed
US-20100105658-A1 AZA-BRIDGED-RING COMPOUND ASTELLAS PHARMA INC. (JP) 2010-04-29 — — US disclosed
US-20100105658-A1 AZA-BRIDGED-RING COMPOUND ASTELLAS PHARMA INC. (JP) 2010-04-29 — — US disclosed
EP-2119716-A1 AZA-BRIDGED-RING COMPOUND Astellas Pharma Inc. (JP) 2009-11-18 — — EP 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-20100105658-A1 AZA-BRIDGED-RING COMPOUND CHRM3, CHRM1, CHRM2 CHRM2 3/4885MEN1 4138/4885CYP2D6 2852/4885

“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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