SCHEMBL245301

SCHEMBL245301

O=C(O)c1cnc(N2CCN(CC3CC3)C2=O)s1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 4/20 0.45
▸ SCN9A Q15858 2/20 0.38
▸ CNR2 P34972 1/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ HCAR2 Q8TDS4 1/20 0.35
▸ P2RX3 P56373 1/20 0.34

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
SCHEMBL243474 0.88 SCD (0.48) SCDSCN9AP2RX3
SCHEMBL244404 0.77 SCD (0.72) SCD
SCHEMBL244565 0.75 SCD (0.59) SCD
SCHEMBL242156 0.71 SCD (0.57) SCD
SCHEMBL243073 0.71 SCD (0.59) SCD
SCHEMBL347922 0.70 SCD (0.59) SCD
SCHEMBL245256 0.70 SCD (0.61) SCD
SCHEMBL14575911 0.69 SCD (0.46) SCD
SCHEMBL347155 0.69 SCD (0.61) SCD
SCHEMBL245119 0.69 SCD (0.44) SCDSCN9ADRD2P2RX3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293768-B2 Organic compounds NOVARTIS AG (CH) 2012-10-23 — — US disclosed
US-8293768-B2 Organic compounds NOVARTIS AG (CH) 2012-10-23 — — US disclosed
US-8293768-B2 Organic compounds NOVARTIS AG (CH) 2012-10-23 — — US disclosed
US-20120004164-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2012-01-05 — — US disclosed
US-20120004164-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2012-01-05 — — US disclosed
US-20120004164-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2012-01-05 — — US disclosed
US-8063084-B2 Heterocyclic compounds suitable for the treatment of diseases related to elevated lipid levels NOVARTIS AG (CH) 2011-11-22 — — US disclosed
US-8063084-B2 Heterocyclic compounds suitable for the treatment of diseases related to elevated lipid levels NOVARTIS AG (CH) 2011-11-22 — — US disclosed
US-8063084-B2 Heterocyclic compounds suitable for the treatment of diseases related to elevated lipid levels NOVARTIS AG (CH) 2011-11-22 — — US disclosed
US-20100233116-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2010-09-16 — — US disclosed
US-20100233116-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2010-09-16 — — US disclosed
US-20100233116-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2010-09-16 — — US disclosed
EP-2054408-A2 HETEROCYCLIC COMPOUNDS SUITABLE FOR THE TREATMENT OF DISEASES RELATED TO ELEVATED LIPID LEVEL Novartis Ag (CH) 2009-05-06 — — EP disclosed
WO-2008127349-A2 HETEROCYCLIC COMPOUNDS SUITABLE FOR THE TREATMENT OF DISEASES RELATED TO ELEVATED LIPID LEVEL NOVARTIS AG (CH) 2008-10-23 — — WO 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-20100233116-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 SCD 1/4885SCN9A 3757/4885CNR2 459/4885
US-20120004164-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 SCD 1/4885SCN9A 3783/4885CNR2 394/4885

“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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