SCHEMBL4907461

SCHEMBL4907461

COCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3OCCN3CCOCC3)cc2n(C)c1=O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.41
CNR2 P34972 7/20 0.40
CNR1 P21554 3/20 0.39
CD274 Q9NZQ7 2/20 0.39
ERN1 O75460 1/20 0.39
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
HTR2A P28223 3/20 0.38
KMT2A Q03164 1/20 0.38
KCNH2 Q12809 1/20 0.38
HTR2C P28335 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
DRD1 P21728 1/20 0.37
DRD4 P21917 1/20 0.37
DRD5 P21918 1/20 0.37

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
SCHEMBL4898690 0.94 CNR2 (0.40) PIK3CACNR2CNR1CD274HPGD
SCHEMBL4906678 0.90 KMT2A (0.42) PIK3CACNR2CNR1CD274HPGD
SCHEMBL4576555 0.89 DRD1 (0.43) CNR2CNR1HPGDHTR2AKMT2A
SCHEMBL16021049 0.87 GRIN2B (0.41) TSHRKMT2A
SCHEMBL4896142 0.86 CNR1 (0.37) PIK3CACNR2CNR1KMT2A
SCHEMBL4904302 0.86 HIF1A (0.38) TSHRKMT2A
SCHEMBL4901109 0.85 HIF1A (0.38) HPGDTSHRKMT2A
SCHEMBL4907166 0.85 HIF1A (0.38) TSHRKMT2A
SCHEMBL16021048 0.85 MEN1 (0.41) HPGDTSHRKMT2A
SCHEMBL6064605 0.84 MEN1 (0.40) HPGDTSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080214527-A1 Hiv Integrase Inhibitors SHIONOGI & CO. LTD (JP) 2008-09-04 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-20080214527-A1 Hiv Integrase Inhibitors API5, ING2, SAMHD1 PIK3CA 548/4885CNR2 4815/4885CNR1 4694/4885

“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.