SCHEMBL5403986

SCHEMBL5403986

CC(C)(C)OC(=O)N(CC(=O)N1CCC(CNc2ccncn2)CC1)c1ccccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 11/20 0.51
CYP2D6 P10635 3/20 0.51
CYP2C9 P11712 3/20 0.51
CYP3A4 P08684 2/20 0.51
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.37
GPR119 Q8TDV5 2/20 0.37
MKNK2 Q9HBH9 1/20 0.37
PIM1 P11309 1/20 0.37
PRMT5 O14744 1/20 0.37
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36
MAPT P10636 1/20 0.35

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
SCHEMBL5392911 0.88 GRIN2B (0.48) GRIN2BCYP2D6CYP2C9CYP3A4KDM4E
SCHEMBL5410680 0.86 KDM4E (0.38) GRIN2BCYP2D6CYP2C9CYP3A4KDM4E
SCHEMBL5406578 0.84 GPR119 (0.37) GRIN2BCYP2D6CYP2C9CYP3A4KDM4E
SCHEMBL5399454 0.77 GRIN2B (0.47) GRIN2BCYP2D6CYP2C9CYP3A4KDM4E
SCHEMBL6421010 0.76 GRIN2B (0.53) GRIN2BCYP2D6CYP2C9CYP3A4KDM4E
SCHEMBL5399467 0.75 GRIN2B (0.58) GRIN2BCYP2D6CYP2C9CYP3A4
SCHEMBL5410050 0.75 USP30 (0.36) GRIN2BKDM4EPKMGPR119MAPT
SCHEMBL5393303 0.74 USP30 (0.34) GRIN2BGPR119MAPT
SCHEMBL5393341 0.73 GPR119 (0.34) GRIN2BCYP2D6CYP2C9GPR119
Trifluoroacetic Acid SCHEMBL6421335 0.73 GRIN2B (0.49) GRIN2BCYP2D6CYP2C9CYP3A4KDM4E

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 GRIN2B 3372/4885CYP2D6 1854/4885CYP2C9 947/4885

“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.