SCHEMBL938660

SCHEMBL938660

CC(O)(CC(=O)N1CCN(c2ccc(C(=O)O)nn2)CC1)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 8/20 0.48
▸ PANK3 Q9H999 6/20 0.43
▸ ME2 P23368 2/20 0.43
▸ ME1 P48163 2/20 0.43
▸ ME3 Q16798 2/20 0.43
▸ DCTPP1 Q9H773 2/20 0.42
▸ SMO Q99835 1/20 0.41

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
SCHEMBL937098 0.88 PANK3 (0.45) SCDPANK3ME2ME1ME3
SCHEMBL5135052 0.87 SCD (0.45) SCDPANK3ME2ME1ME3
SCHEMBL27654397 0.87 PANK3 (0.50) SCDPANK3ME2ME1ME3
SCHEMBL937848 0.82 SCD (0.55) SCDDCTPP1
SCHEMBL1380770 0.82 SCD (0.75) SCD
SCHEMBL937866 0.81 SCD (0.65) SCDDCTPP1
SCHEMBL936149 0.80 PANK3 (0.51) SCDPANK3DCTPP1
SCHEMBL938277 0.79 PANK3 (0.49) SCDPANK3DCTPP1
SCHEMBL938175 0.77 CKS1B (0.50) SCDDCTPP1SMO
SCHEMBL936244 0.76 SCD (0.46) SCDPANK3DCTPP1

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056460-A1 COMBINATION OF ORGANIC COMPOUNDS ALI MOHAMMED A 2010-03-04 — — US claimed
US-20090131447-A1 COMBINATION THERAPY XENON PHARMACEUTICALS INC. (CA) 2009-05-21 — — US claimed
EP-1907004-A2 COMBINATION OF A RENIN INHIBITOR AND AN INSULIN SECRETION ENHANCER OR AN INSULIN SENSITIZER Novartis AG (CH) 2008-04-09 — — EP claimed
US-7335658-B2 Pyridazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2008-02-26 — — US claimed
EP-1846035-A2 COMBINATION THERAPY XENON PHARMACEUTICALS INC. (CA) 2007-10-24 — — EP claimed
JP-2007500717-A — — 2007-01-18 — — JP claimed
WO-2007005763-A2 COMBINATION OF A RENIN INHIBITOR AND AN INSULIN SECRETION ENHANCER OR AN INSULIN SENSITIZER NOVARTIS AG (CH) 2007-01-11 — — WO claimed
WO-2006086445-A2 COMBINATION THERAPY XENON PHARMACEUTICALS INC. (CA) 2006-08-17 — — WO claimed
EP-1648874-A2 PIPERAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2006-04-26 — — EP claimed
US-20050065143-A1 Pyridazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2005-03-24 — — US claimed
WO-2005011655-A2 PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2005-02-10 — — WO claimed
EP-3042895-A1 PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS Xenon Pharmaceuticals Inc. (CA) 2016-07-13 — — EP disclosed
EP-2316827-B1 Piperazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC (CA) 2016-01-27 — — EP disclosed
EP-1648874-B1 PIPERAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2011-10-05 — — EP disclosed
US-7964591-B2 Pyridazine derivatives and their use as therapeutic agents NOVARTIS PHARMA AG (CH) 2011-06-21 — — US disclosed
US-20070087363-A1 Therapeutic methods, compounds and compositions MYRIAD GENETICS, INCORPORATED (US) 2007-04-19 — — US disclosed
WO-2007005763-A2 COMBINATION OF A RENIN INHIBITOR AND AN INSULIN SECRETION ENHANCER OR AN INSULIN SENSITIZER NOVARTIS AG (CH) 2007-01-11 — — WO disclosed
WO-2006086445-A2 COMBINATION THERAPY XENON PHARMACEUTICALS INC. (CA) 2006-08-17 — — WO disclosed
US-20060009459-A1 Pyridazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2006-01-12 — — US disclosed
US-20050065143-A1 Pyridazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2005-03-24 — — 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 (5 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-20050065143-A1 Pyridazine derivatives and their use as therapeutic agents PRDX5, SNRPD3, SNRPD2 SCD 21/4885PANK3 2969/4885ME2 1077/4885
US-20070087363-A1 Therapeutic methods, compounds and compositions APP, BACE1, PSEN1 SCD 1186/4885PANK3 4000/4885ME2 2235/4885
US-20100056460-A1 COMBINATION OF ORGANIC COMPOUNDS REN, IAPP, ACE SCD 847/4885PANK3 3045/4885ME2 373/4885
US-20090131447-A1 COMBINATION THERAPY SCD, SCD5, ARG1 SCD 1/4885PANK3 4504/4885ME2 1798/4885
US-20060009459-A1 Pyridazine derivatives and their use as therapeutic agents PRDX5, SNRPD3, C3AR1 SCD 24/4885PANK3 3009/4885ME2 1063/4885

“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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