SCHEMBL3317652

SCHEMBL3317652

CCOC(=O)C1CCN2CCCC1C2

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.43
▸ HSD17B10 Q99714 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ CYP2C19 P33261 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ HTT P42858 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ L3MBTL1 Q9Y468 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
SCHEMBL3319442 0.92 CHRM2 (0.42) ALDH1A1HSD17B10NPSR1L3MBTL1
SCHEMBL7330432 0.82 CHRM1 (0.42) ALDH1A1
SCHEMBL9698264 0.82 ALDH1A1 (0.44) ALDH1A1RAB9APOLBHTTATM
SCHEMBL10570225 0.82 ALDH1A1 (0.41) ALDH1A1HSD17B10RAB9ACYP2C19POLB
SCHEMBL9696817 0.80 ALDH1A1 (0.46) ALDH1A1
SCHEMBL9400765 0.75 CHRM1 (0.42) ALDH1A1NPSR1L3MBTL1
SCHEMBL9400768 0.75 CHRM1 (0.42) ALDH1A1NPSR1L3MBTL1
SCHEMBL10591709 0.73 CHRNA7 (0.39) ALDH1A1NPSR1
SCHEMBL2098632 0.71 CHRM4 (0.45) ALDH1A1RAB9APOLBSMN1; SMN2
SCHEMBL3314224 0.70 CHRM1 (0.40) —

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 ALDH1A1 2006/4885HSD17B10 3014/4885RAB9A 2396/4885

“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.

Send feedback