SCHEMBL3319620

SCHEMBL3319620

CCOC(=O)CN1CCC(C(=O)OC)CC1CCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.47
▸ NPSR1 Q6W5P4 3/20 0.47
▸ MAPT P10636 3/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ HPGD P15428 1/20 0.47
▸ TSHR P16473 1/20 0.46
▸ PKM P14618 1/20 0.45
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.42
▸ NPC1 O15118 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ MMEL1 Q495T6 1/20 0.40

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
SCHEMBL7522044 0.90 PKM (0.45) ALDH1A1NPSR1PKMMEN1KMT2A
SCHEMBL6415112 0.79 ALDH1A1 (0.44) ALDH1A1NPSR1MAPTHSD17B10HPGD
SCHEMBL13398533 0.78 ALDH1A1 (0.47) ALDH1A1TSHRMEN1KMT2APOLB
SCHEMBL581685 0.76 PKM (0.42) ALDH1A1NPSR1MAPTPKMMEN1
SCHEMBL3073261 0.76 PKM (0.42) ALDH1A1NPSR1MAPTPKMMEN1
SCHEMBL3080016 0.76 PKM (0.42) ALDH1A1NPSR1MAPTPKMMEN1
SCHEMBL29965675 0.76 MAPT (0.46) ALDH1A1NPSR1MAPTHSD17B10PKM
SCHEMBL30233529 0.71 ALDH1A1 (0.47) ALDH1A1NPSR1MAPTHSD17B10HPGD
SCHEMBL18740794 0.70 ALDH1A1 (0.56) ALDH1A1NPSR1MAPTHSD17B10HPGD
SCHEMBL18740793 0.70 ALDH1A1 (0.56) ALDH1A1NPSR1MAPTHSD17B10HPGD

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 2006/4885NPSR1 465/4885MAPT 4405/4885

“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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