SCHEMBL1767415

SCHEMBL1767415

O=C(NCc1ccc(F)c(F)c1)c1ccnc(N2CCN(CC3CC3)C2=O)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 2/20 0.46
▸ MMP13 P45452 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ CXCR3 P49682 4/20 0.40
▸ HTR7 P34969 1/20 0.40
▸ ACHE P22303 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ AR P10275 1/20 0.39
▸ MET P08581 1/20 0.38
▸ ROCK2 O75116 1/20 0.38
▸ ROCK1 Q13464 1/20 0.38
▸ KLKB1 P03952 1/20 0.38
▸ KLK1 P06870 1/20 0.38
▸ KDM5A P29375 1/20 0.37
▸ KDM5B Q9UGL1 1/20 0.37

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
SCHEMBL1767494 0.91 SCD (0.47) SCDMMP13ALDH1A1
SCHEMBL1767391 0.87 SCD (0.52) SCDALDH1A1ROCK1
SCHEMBL1767560 0.87 SCD (0.50) SCDMMP13ALDH1A1ROCK2KLKB1
SCHEMBL1767389 0.86 SCD (0.50) SCDMMP13CXCR3HTR7KLKB1
SCHEMBL1767520 0.84 SCD (0.50) SCDHTR7ROCK2
SCHEMBL1767518 0.84 SCD (0.65) SCDALDH1A1
SCHEMBL1767498 0.83 SCD (0.51) SCD
SCHEMBL1767575 0.82 SCD (0.53) SCDALDH1A1
SCHEMBL1767542 0.81 SCD (0.49) SCDALDH1A1
SCHEMBL1767539 0.80 ROCK2 (0.42) SCDACHEGSK3BROCK2KLKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160289191-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2016-10-06 — — US claimed
US-20110105530-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2011-05-05 — — US claimed
US-20160289191-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2016-10-06 — — US disclosed
US-20160289191-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2016-10-06 — — US disclosed
US-9187426-B2 Organic compounds NOVARTIS AG (CH) 2015-11-17 — — US disclosed
US-9187426-B2 Organic compounds NOVARTIS AG (CH) 2015-11-17 — — US disclosed
US-20110105530-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2011-05-05 — — US disclosed
US-20110105530-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2011-05-05 — — US disclosed
WO-2009156484-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-30 — — 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-20110105530-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 SCD 1/4885MMP13 1303/4885ALDH1A1 451/4885
US-20160289191-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 SCD 1/4885MMP13 1303/4885ALDH1A1 451/4885

“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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