SCHEMBL2954941

SCHEMBL2954941

O=C(O)N1CCN2C(=O)OCC2C1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.46
SCN9A Q15858 1/20 0.37
LTA4H P09960 2/20 0.32
EIF2AK4 Q9P2K8 1/20 0.31
PDE4B Q07343 1/20 0.31
VNN1 O95497 1/20 0.31
ATR Q13535 2/20 0.31
KRAS P01116 1/20 0.31

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
SCHEMBL27209353 1.00 DPP4 (0.46) DPP4SCN9ALTA4HEIF2AK4PDE4B
SCHEMBL3774805 0.77 PIK3CD (0.39) DPP4ATR
SCHEMBL3772792 0.77 PIK3CD (0.39) DPP4ATR
SCHEMBL26110419 0.74 HTR1A (0.51)
SCHEMBL23138573 0.73 LTA4H (0.34) DPP4LTA4HEIF2AK4PDE4B
SCHEMBL19370311 0.73 HTR2A (0.41) DPP4SCN9ALTA4HEIF2AK4PDE4B
SCHEMBL19370310 0.73 HTR2A (0.41) DPP4SCN9ALTA4HEIF2AK4PDE4B
SCHEMBL18590395 0.73 LTA4H (0.36) DPP4LTA4HEIF2AK4PDE4B
SCHEMBL16853906 0.73 LTA4H (0.34) DPP4LTA4HEIF2AK4PDE4B
SCHEMBL18590394 0.73 LTA4H (0.36) DPP4LTA4HEIF2AK4PDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117157299-B Tricyclic heterocyclic derivative, composition and application thereof 北京丹擎医药科技有限公司 2024-05-28 CN disclosed
US-20240140954-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES, COMPOSITIONS AND USES THEREOF DANATLAS PHARMACEUTICALS CO., LTD. (CN) 2024-05-02 US disclosed
EP-1856058-B1 PHTHALAZINE, AZA- AND DIAZA-PHTHALAZINE COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2014-09-03 EP disclosed
EP-2044038-B1 NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF CORNERSTONE THERAPEUTICS INC (US) 2014-07-02 EP disclosed
US-7759337-B2 Phthalazine compounds and methods of use AMGEN INC. (US) 2010-07-20 US disclosed
EP-2044038-A2 NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF Cornerstone Therapeutics Inc. (US) 2009-04-08 EP disclosed
WO-2007146066-A2 NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF CRITICAL THERAPEUTICS, INC. (US) 2007-12-21 WO disclosed
US-20060199817-A1 Phthalazine, aza- and diaza-phthalazine compounds and methods of use AMGEN INC. (US) 2006-09-07 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 (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-20060199817-A1 Phthalazine, aza- and diaza-phthalazine compounds and methods of use DAPK2, CDK2, DAPK1 DPP4 974/4885SCN9A 4568/4885LTA4H 2049/4885
US-20240140954-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES, COMPOSITIONS AND USES THEREOF CYP11B2, SDHA, CYP3A43 DPP4 1460/4885SCN9A 3184/4885LTA4H 1155/4885

“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.