SCHEMBL244631

SCHEMBL244631

Cc1nc(N2CCN(Cc3cccc(C(F)(F)F)c3)C2=O)sc1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 14/20 0.59
▸ ALDH1A1 P00352 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ DRD2 P14416 1/20 0.46
▸ DRD3 P35462 1/20 0.46
▸ KCNH2 Q12809 1/20 0.46
▸ KCNN4 O15554 2/20 0.43

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
SCHEMBL348495 0.92 SCD (0.56) SCDDRD2DRD3KCNH2KCNN4
SCHEMBL243673 0.89 SCD (0.53) SCDALDH1A1SMN1; SMN2DRD2DRD3
SCHEMBL242149 0.88 SCD (0.65) SCDALDH1A1SMN1; SMN2
SCHEMBL245185 0.86 SCD (0.77) SCDSMN1; SMN2
SCHEMBL244834 0.83 SCD (0.78) SCD
SCHEMBL347143 0.82 SCD (0.65) SCD
SCHEMBL348469 0.81 SCD (0.58) SCD
SCHEMBL347920 0.81 SCD (0.66) SCD
SCHEMBL242074 0.81 SCD (0.82) SCD
SCHEMBL242710 0.80 SCD (0.61) SCDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2054408-B1 Heterocyclic compounds suitable for the treatment of diseases related to elevated lipid level NOVARTIS AG (CH) 2016-07-13 — — EP disclosed
EP-2054408-B1 Heterocyclic compounds suitable for the treatment of diseases related to elevated lipid level NOVARTIS AG (CH) 2016-07-13 — — EP 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-8293768-B2 Organic compounds NOVARTIS AG (CH) 2012-10-23 — — US disclosed
CN-101535303-B Heterocyclic compounds suitable for the treatment of diseases related to elevated lipid level NOVARTIS AG 2012-07-18 — — CN 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
CN-101535303-A Heterocyclic compounds suitable for the treatment of diseases related to elevated lipid level NOVARTIS AG (CH) 2009-09-16 — — CN 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
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 1/4885ALDH1A1 433/4885SMN1; SMN2 3878/4885
US-20120004164-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 SCD 1/4885ALDH1A1 451/4885SMN1; SMN2 3581/4885

“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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