SCHEMBL13398533

SCHEMBL13398533

CCOC(=O)CN1CCC(C(=O)OC)CC1CCC1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.47
▸ GAA P10253 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ POLB P06746 1/20 0.36
▸ FKBP1A P62942 2/20 0.35
▸ METAP2 P50579 1/20 0.35
▸ THRB P10828 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HTT P42858 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
SCHEMBL29965675 0.79 MAPT (0.46) ALDH1A1GAASMN1; SMN2ATML3MBTL1
SCHEMBL3319620 0.78 ALDH1A1 (0.47) ALDH1A1POLBTSHRMEN1KMT2A
SCHEMBL29965262 0.72 MAPT (0.44) ALDH1A1GAASMN1; SMN2ATML3MBTL1
SCHEMBL23727122 0.70 MAPT (0.47) ALDH1A1SMN1; SMN2POLBATML3MBTL1
SCHEMBL9367156 0.69 ALDH1A1 (0.38) ALDH1A1GAASMN1; SMN2L3MBTL1TSHR
SCHEMBL9215253 0.68 GAA (0.52) ALDH1A1GAASMN1; SMN2MEN1KMT2A
SCHEMBL7522044 0.67 PKM (0.45) ALDH1A1SMN1; SMN2POLBL3MBTL1MEN1
SCHEMBL19718789 0.67 HDAC8 (0.41) ALDH1A1GAAPOLBTHRBATM
SCHEMBL19360211 0.67 L3MBTL1 (0.39) ALDH1A1GAATHRBATML3MBTL1
Hydrochloric Acid SCHEMBL8430562 0.66 KMT2A (0.35) ALDH1A1GAATHRBATML3MBTL1

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 4 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-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

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 ALDH1A1 2006/4885GAA 4265/4885SMN1; SMN2 4664/4885

“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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