SCHEMBL6629639

SCHEMBL6629639

CC(C)(C)OC(=O)N1CCC(c2nc(O)cc(-c3ccccc3)n2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.52
GPR119 Q8TDV5 6/20 0.51
HPGDS O60760 2/20 0.50
USP30 Q70CQ3 3/20 0.48
KDM4E B2RXH2 3/20 0.48
MEN1 O00255 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
TSHR P16473 2/20 0.48
KMT2A Q03164 2/20 0.48
HSD17B10 Q99714 2/20 0.48
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
CKS1B P61024 1/20 0.46
SKP1 P63208 1/20 0.46
SKP2 Q13309 1/20 0.46
MAPT P10636 2/20 0.46
GAA P10253 2/20 0.46
USP2 O75604 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL14239665 0.82 KDM4E (0.51) HTTGPR119KDM4EMAPTTHRB
SCHEMBL12512352 0.80 GPR119 (0.55) HTTGPR119HPGDSUSP30GAA
SCHEMBL20552124 0.79 MAPT (0.52) HTTKDM4EMEN1ALDH1A1HPGD
SCHEMBL1653297 0.79 USP30 (0.59) GPR119HPGDSUSP30
SCHEMBL1653301 0.79 HTT (0.79) HTTGPR119HPGDSUSP30KDM4E
SCHEMBL20551736 0.79 JAK2 (0.52) HTTGPR119HPGDSUSP30KDM4E
SCHEMBL31379897 0.77 JAK2 (0.42) HTTGPR119HPGDSKDM4EMEN1
SCHEMBL31379875 0.77 IGF1R (0.42) HTTGPR119HPGDSKDM4EMEN1
SCHEMBL25121090 0.77 GPR119 (0.51) GPR119HPGDSKDM4EMAPTTHRB
SCHEMBL2062909 0.77 HPGDS (0.58) HTTGPR119HPGDSUSP30KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1389194-A2 INHIBITORS OF BACE VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-02-18 EP disclosed
US-20030095958-A1 Inhibitors of bace VERTEX PHARMACEUTICALS INCORPORATED 2003-05-22 US disclosed
WO-2002088101-A2 INHIBITORS OF BACE VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-11-07 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-20030095958-A1 Inhibitors of bace BACE2, BACE1, APP HTT 313/4885GPR119 3178/4885HPGDS 3392/4885

“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.