SCHEMBL18335884

SCHEMBL18335884

CC(C)(C)OC(=O)N1CCCC1C(=O)CNc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.54
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ HSD17B10 Q99714 1/20 0.51
▸ KLK7 P49862 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ UCHL1 P09936 2/20 0.48
▸ GPR119 Q8TDV5 1/20 0.46
▸ WNT3 P56703 2/20 0.45
▸ SFRP1 Q8N474 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ USP30 Q70CQ3 2/20 0.44
▸ BUB1 O43683 1/20 0.44

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
SCHEMBL18335882 1.00 NPC1 (0.54) NPC1MEN1KMT2AHSD17B10KLK7
SCHEMBL2389717 0.82 NPC1 (0.77) NPC1MEN1KMT2ALMNANPSR1
SCHEMBL20595807 0.82 KLK7 (0.57) NPC1MEN1KMT2AHSD17B10KLK7
SCHEMBL25338280 0.82 KLK7 (0.57) NPC1MEN1KMT2AHSD17B10KLK7
SCHEMBL2525285 0.82 NPC1 (0.77) NPC1MEN1KMT2ALMNANPSR1
SCHEMBL12311356 0.81 OPRD1 (0.53) NPC1MEN1KMT2AKLK7LMNA
SCHEMBL18338006 0.80 KLK7 (0.52) NPC1MEN1KMT2AHSD17B10KLK7
SCHEMBL18338005 0.80 KLK7 (0.52) NPC1MEN1KMT2AHSD17B10KLK7
SCHEMBL10720815 0.80 HSD17B10 (0.53) NPC1MEN1KMT2AHSD17B10LMNA
SCHEMBL25842784 0.80 NPC1 (0.48) NPC1MEN1KMT2AHSD17B10KLK7

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 5 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

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 NPC1 2170/4885MEN1 2221/4885KMT2A 2419/4885
US-10065972-B2 Bicyclic or tricyclic heterocyclic compound CBR3, CBR1, CYCS NPC1 2168/4885MEN1 2082/4885KMT2A 2405/4885

“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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