SCHEMBL5372673

SCHEMBL5372673

CCC(C)C(C)(C)C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
KIF11 P52732 1/20 0.31
TSHR P16473 2/20 0.31
LMNA P02545 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL11339385 0.82 ENPEP (0.32) TSHRLMNA
SCHEMBL4886842 0.81 CA2 (0.39) CA1CA2TSHRLMNAHSD17B10
SCHEMBL11333891 0.80 CA1 (0.37) CA1CA2KIF11TSHRLMNA
SCHEMBL18770575 0.78 CA1 (0.35) CA1CA2KIF11
SCHEMBL19178067 0.78 ECE1 (0.32)
SCHEMBL28639368 0.78 CA2 (0.50) CA1CA2
SCHEMBL1572815 0.77 TSHR (0.36) CA2KIF11TSHRHSD17B10
SCHEMBL22689595 0.77 CA2 (0.38) CA1CA2TSHRLMNAHSD17B10
SCHEMBL8598405 0.77 ALOX15 (0.36) CA1CA2KIF11TSHRLMNA
SCHEMBL5369984 0.77 TSHR (0.36) CA2KIF11TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7235258-B1 Sustained-release formulations for treating CNS-mediated disorders NPS PHARMACEUTICALS, INC. (US) 2007-06-26 US claimed
EP-1576962-A1 Composition comprising isovaleramide and ibuprofen NPS PHARMACEUTICALS, INC. (US) 2005-09-21 EP claimed
US-20040072900-A1 Treating a variety of pathological conditions, including spasticity and convulsions, by effecting a modulation of CNS activity with isovaleramide, isovaleric acid, or a related compound NPS PHARMACEUTICALS 2004-04-15 US claimed
JP-2002538106-A 2002-11-12 JP claimed
EP-1225888-A2 SUSTAINED-RELEASE FORMULATIONS FOR TREATING CNS-MEDIATED DISORDERS NPS PHARMACEUTICALS, INC. (US) 2002-07-31 EP claimed
US-6383527-B1 FOR TREATMENT OF ACUTE MUSCULAR ACHES, STRAINS, AND SPRAINS WHICH OCCUR FROM A LOCALIZED, EXTERNAL INSULT TO A PARTICULAR MUSCLE OR MUSCLE GROUP NPS PHARMACEUTICALS, INC. 2002-05-07 US claimed
EP-1176953-A2 TREATMENT OF A VARIETY OF PATHOLOGICAL CONDITIONS, INCLUDING SPASTICITY AND CONVULSIONS, BY EFFECTING MODULATION OF CNS ACTIVITY WITH ISOVALERAMIDE, ISOVALERIC ACID, OR A RELATED COMPOUND NPS PHARMACEUTICALS, INC. (US) 2002-02-06 EP claimed
WO-2001028516-A2 SUSTAINED-RELEASE FORMULATIONS FOR TREATING CNS-MEDIATED DISORDERS NPS PHARMACEUTICALS, INC. (US) 2001-04-26 WO claimed
EP-1059930-A1 COMPOSITIONS COMPRISING VALERIAN EXTRACTS, ISOVALERIC ACID OR DERIVATIVES THEREOF WITH A NSAID NPS PHARMACEUTICALS, INC. (US) 2000-12-20 EP claimed
WO-2000051586-A2 TREATING A VARIETY OF PATHOLOGICAL CONDITIONS, INCLUDING SPASTICITY AND CONVULSIONS, BY EFFECTING MODULATION OF CNS ACTIVITY WITH ISOVALERAMIDE, ISOVALERIC ACID, OR A RELATED COMPOUND NPS PHARMACEUTICALS, INC. (US) 2000-09-08 WO claimed
WO-1999044623-A1 COMPOSITIONS COMPRISING VALERIAN EXTRACTS, ISOVALERIC ACID OR DERIVATIVES THEREOF WITH A NSAID NPS PHARMACEUTICALS, INC. (US) 1999-09-10 WO claimed
US-20230024302-A1 2,3,5-TRISUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINE COMPOUNDS ARCUS BIOSCIENCES, INC. 2023-01-26 US disclosed
CN-106349156-B It can be used as the pyridine -2- amides of CB2 agonist 霍夫曼-拉罗奇有限公司 2018-12-11 CN disclosed
CN-106349156-A Pyridine-2-amides capable of being used as CB2 agonist 霍夫曼-拉罗奇有限公司 2017-01-25 CN disclosed
CN-103608332-B Pyridine-2-amides useful as CB2 agonists 霍夫曼-拉罗奇有限公司 2016-09-28 CN disclosed
US-6383527-B1 FOR TREATMENT OF ACUTE MUSCULAR ACHES, STRAINS, AND SPRAINS WHICH OCCUR FROM A LOCALIZED, EXTERNAL INSULT TO A PARTICULAR MUSCLE OR MUSCLE GROUP NPS PHARMACEUTICALS, INC. 2002-05-07 US disclosed
WO-2001028516-A2 SUSTAINED-RELEASE FORMULATIONS FOR TREATING CNS-MEDIATED DISORDERS NPS PHARMACEUTICALS, INC. (US) 2001-04-26 WO disclosed
EP-1059930-A1 COMPOSITIONS COMPRISING VALERIAN EXTRACTS, ISOVALERIC ACID OR DERIVATIVES THEREOF WITH A NSAID NPS PHARMACEUTICALS, INC. (US) 2000-12-20 EP disclosed
WO-1999044623-A1 COMPOSITIONS COMPRISING VALERIAN EXTRACTS, ISOVALERIC ACID OR DERIVATIVES THEREOF WITH A NSAID NPS PHARMACEUTICALS, INC. (US) 1999-09-10 WO disclosed
EP-0677038-B1 METHOD FOR AMIDE PREPARATION EXXON CHEMICAL PATENTS INC (US) 1998-07-08 EP 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-20040072900-A1 Treating a variety of pathological conditions, including spasticity and convulsions, by effecting a modulation of CNS activity with isovaleramide, isovaleric acid, or a related compound GABRG3, NLN, GABRA4 CA1 216/4885CA2 559/4885KIF11 799/4885
US-20230024302-A1 2,3,5-TRISUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINE COMPOUNDS PIK3CA, PIK3CG, PIK3CD CA1 4788/4885CA2 4520/4885KIF11 3391/4885

“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.