SCHEMBL5406578

SCHEMBL5406578

CN(CC1CCN(C(=O)CN(C(=O)OC(C)(C)C)c2ccccc2Cl)CC1)c1ccncn1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.37
GRIN2B Q13224 2/20 0.35
USP30 Q70CQ3 1/20 0.34
TNKS O95271 1/20 0.34
PARP1 P09874 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
MC4R P32245 1/20 0.34
MAPT P10636 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
LIMK2 P53671 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
FDFT1 P37268 2/20 0.32
MKNK2 Q9HBH9 1/20 0.32
KDM4E B2RXH2 1/20 0.32
PKM P14618 1/20 0.32
TBK1 Q9UHD2 1/20 0.32

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
SCHEMBL5393303 0.87 USP30 (0.34) GPR119GRIN2BUSP30MC4RMAPT
SCHEMBL5410050 0.86 USP30 (0.36) GPR119GRIN2BUSP30MC4RMAPT
SCHEMBL5403986 0.84 GRIN2B (0.51) GPR119GRIN2BMAPTCYP3A4CYP2D6
SCHEMBL5392904 0.83 TNKS (0.49) GRIN2BTNKSPARP1TNKS2
SCHEMBL5393341 0.81 GPR119 (0.34) GPR119GRIN2BUSP30MC4RFNTA
SCHEMBL5392911 0.80 GRIN2B (0.48) GRIN2BMAPTCYP3A4CYP2D6CYP2C9
SCHEMBL5407391 0.77 SFRP1 (0.36) GPR119GRIN2BLIMK2CYP3A4CYP2C9
SCHEMBL5396575 0.76 SCD (0.44) GRIN2BCYP3A4CYP2D6CYP2C9
SCHEMBL5410680 0.75 KDM4E (0.38) GRIN2BMAPTCYP3A4CYP2D6CYP2C9
SCHEMBL4842725 0.72 ACHE (0.42) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7294627-B2 Chemical compounds ELI LILLY AND COMPANY (US) 2007-11-13 US disclosed
US-20040249151-A1 Factor Xa inhibitors, useful in therapy of thrombotic disorders ELI LILLY AND COMPANY 2004-12-09 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 (1 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-20040249151-A1 Factor Xa inhibitors, useful in therapy of thrombotic disorders F11, SERPINC1, F2 GPR119 3759/4885GRIN2B 3372/4885USP30 4036/4885

“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.