SCHEMBL18338005

SCHEMBL18338005

CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)COc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KLK7 P49862 1/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ ALDH1A1 P00352 3/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ UCHL1 P09936 2/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ PABPC1 P11940 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.49
▸ HRH2 P25021 1/20 0.48
▸ HRH1 P35367 1/20 0.48
▸ LMNA P02545 2/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.47
▸ CPT2 P23786 1/20 0.47
▸ CPT1A P50416 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ HDAC8 Q9BY41 1/20 0.45

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
SCHEMBL18338006 1.00 KLK7 (0.52) KLK7NPC1ALDH1A1SMN1; SMN2UCHL1
SCHEMBL25338280 0.83 KLK7 (0.57) KLK7NPC1ALDH1A1SMN1; SMN2UCHL1
SCHEMBL20595807 0.83 KLK7 (0.57) KLK7NPC1ALDH1A1SMN1; SMN2UCHL1
SCHEMBL15349958 0.81 ALDH1A1 (0.61) KLK7NPC1ALDH1A1SMN1; SMN2UCHL1
SCHEMBL10522174 0.81 ALDH1A1 (0.61) KLK7NPC1ALDH1A1SMN1; SMN2UCHL1
SCHEMBL938055 0.81 ABHD6 (0.50) NPC1
SCHEMBL27936838 0.81 ABHD6 (0.50) NPC1
SCHEMBL938053 0.81 ABHD6 (0.50) NPC1
SCHEMBL18335882 0.80 NPC1 (0.54) KLK7NPC1ALDH1A1SMN1; SMN2UCHL1
SCHEMBL18335884 0.80 NPC1 (0.54) KLK7NPC1ALDH1A1SMN1; SMN2UCHL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3683222-B1 NOVEL BICYCLIC OR TRICYCLIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORP (JP) 2021-10-06 — — EP disclosed
EP-3683222-A1 NOVEL BICYCLIC OR TRICYCLIC HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2020-07-22 — — EP disclosed
US-10065972-B2 Bicyclic or tricyclic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2018-09-04 — — US disclosed
EP-3135674-A1 NOVEL BICYCLIC OR TRICYCLIC HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2017-03-01 — — EP disclosed
US-20160376289-A1 NOVEL BICYCLIC OR TRICYCLIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-12-29 — — US disclosed
US-20160376289-A1 NOVEL BICYCLIC OR TRICYCLIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-12-29 — — 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 (2 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-20160376289-A1 NOVEL BICYCLIC OR TRICYCLIC HETEROCYCLIC COMPOUND CBR3, CBR1, CYCS KLK7 4071/4885NPC1 2170/4885ALDH1A1 2826/4885
US-10065972-B2 Bicyclic or tricyclic heterocyclic compound CBR3, CBR1, CYCS KLK7 3963/4885NPC1 2168/4885ALDH1A1 3047/4885

“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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