SCHEMBL3701010

SCHEMBL3701010

CCCCOC(=O)NCC1CCNC1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACHE P22303 12/20 0.44
IGLV6-57 P01721 1/20 0.43
NAAA Q02083 2/20 0.40
GNAI3 P08754 1/20 0.40
GNAO1 P09471 1/20 0.40
GNAI1 P63096 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
SCHEMBL27694206 0.92 IGLV6-57 (0.50) ACHEIGLV6-57NAAA
SCHEMBL7051358 0.91 GNAI3 (0.49) ACHEGNAI3GNAO1GNAI1
SCHEMBL19064001 0.87 SLC6A1 (0.40) ACHEIGLV6-57
SCHEMBL19064114 0.85 IGLV6-57 (0.39) IGLV6-57
SCHEMBL19064129 0.84 SLC6A1 (0.42) ACHEIGLV6-57
SCHEMBL16145641 0.83 ACHE (0.53) ACHE
SCHEMBL19064062 0.82 MAPT (0.46) IGLV6-57
SCHEMBL19064152 0.81 CA12 (0.44) ACHE
SCHEMBL23063453 0.80 SLC6A1 (0.47)
SCHEMBL13387497 0.79 ACHE (0.49) ACHE

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
EP-3400228-A1 FUSED QUADRACYCLIC COMPOUNDS, COMPOSITIONS AND USES THEREOF Tabomedex Biosciences, LLC (US) 2018-11-14 EP disclosed
WO-2017120164-A1 FUSED QUADRACYCLIC COMPOUNDS, COMPOSITIONS AND USES THEREOF Tabomedex Biosciences, LLC (US) 2017-07-13 WO disclosed
US-8569484-B2 Heterocyclic urea derivatives and methods of use thereof ASTRAZENECA AB (SE) 2013-10-29 US disclosed
US-20120122817-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2012-05-17 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-20120122817-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF UROD, UMPS, SLC14A1 ACHE 325/4885IGLV6-57 2250/4885NAAA 413/4885

“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.