SCHEMBL3317577

SCHEMBL3317577

CCOC(=O)C1CCCN(Cc2ccccc2)CC1

nearest known ligand 0.77

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.71
ATM Q13315 1/20 0.71
ALDH1A1 P00352 5/20 0.69
CCR8 P51685 1/20 0.69
KDM4E B2RXH2 6/20 0.66
MAPT P10636 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
HRH3 Q9Y5N1 1/20 0.62
KMT2A Q03164 1/20 0.62

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
SCHEMBL608528 0.95 ALDH1A1 (0.76) ALDH1A1CCR8KDM4EMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL7438287 0.93 ALDH1A1 (0.74) ALDH1A1CCR8KDM4EMAPTSMN1; SMN2
SCHEMBL1946258 0.90 L3MBTL1 (0.86) L3MBTL1ATMALDH1A1KDM4ESMN1; SMN2
Bromide SCHEMBL10462008 0.89 L3MBTL1 (0.84) L3MBTL1ATMALDH1A1KDM4ESMN1; SMN2
SCHEMBL4300326 0.87 L3MBTL1 (0.67) L3MBTL1ATMALDH1A1CCR8KDM4E
SCHEMBL1545229 0.87 L3MBTL1 (0.74) L3MBTL1ATMALDH1A1CCR8KDM4E
SCHEMBL8263564 0.87 L3MBTL1 (0.74) L3MBTL1ATMALDH1A1CCR8KDM4E
SCHEMBL14022760 0.87 L3MBTL1 (0.74) L3MBTL1ATMALDH1A1CCR8KDM4E
SCHEMBL8791924 0.85 CCR8 (0.81) L3MBTL1ATMALDH1A1CCR8KDM4E
SCHEMBL4693375 0.84 L3MBTL1 (0.76) L3MBTL1ALDH1A1CCR8KDM4EMAPT

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 L3MBTL1 2014/4885ATM 3805/4885ALDH1A1 2006/4885

“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.