SCHEMBL5585876

SCHEMBL5585876

C[C@@H]1CN(C(=O)O)CCN1c1nccnc1OCCOc1cccnc1OCCOCCNC(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 2/20 0.36
CRBN Q96SW2 2/20 0.36
SCN9A Q15858 1/20 0.36
PARP1 P09874 1/20 0.36
BUB1 O43683 1/20 0.36
ATR Q13535 1/20 0.35
ATRIP Q8WXE1 1/20 0.35
ADRB2 P07550 1/20 0.35
HTR1A P08908 1/20 0.35
BCHE P06276 2/20 0.35
CNR2 P34972 2/20 0.35
TLR2 O60603 1/20 0.34
TLR1 Q15399 1/20 0.34
SUCNR1 Q9BXA5 1/20 0.34
EGFR P00533 1/20 0.34
ITK Q08881 1/20 0.34
SMO Q99835 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
GBA1 P04062 1/20 0.34
ROCK2 O75116 1/20 0.34

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
SCHEMBL7475629 0.80 SMO (0.40) SMO
SCHEMBL4312693 0.73 SMO (0.44) SMOGPR119
SCHEMBL2640249 0.73 SLC6A7 (0.41) SMO
SCHEMBL5239428 0.71 GPR119 (0.48) GPR119
SCHEMBL5573580 0.68 SMO (0.43) SMOGPR119
SCHEMBL28956980 0.68 ALDH1A1 (0.63) SCN9AADRB2HTR1ABCHECNR2
SCHEMBL5585902 0.67 HTR2C (0.36)
SCHEMBL905705 0.67 HTR7 (0.38) ADRB2HTR1A
SCHEMBL2382879 0.67 GPR119 (0.56) GPR119
SCHEMBL20141349 0.66 SMO (0.45) SMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7226925-B2 Compounds, their use and preparation BIOVITRUM AB (SE) 2007-06-05 US disclosed
EP-1513831-A1 NOVEL COMPOUNDS, THEIR USE AND PREPARATION Biovitrum AB (SE) 2005-03-16 EP disclosed
US-20040029888-A1 Novel compounds, their use and preparation PROXIMAGEN NEUROSCIENCE PLC (GB) 2004-02-12 US disclosed
WO-2004000830-A1 NOVEL COMPOUNDS, THEIR USE AND PREPARATION BIOVITRUM AB (SE) 2003-12-31 WO 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-20040029888-A1 Novel compounds, their use and preparation TPH1, TPH2, HTR1A DDB1 4438/4885CRBN 3900/4885SCN9A 1404/4885

“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.