SCHEMBL3987206

SCHEMBL3987206

CC(C)(C)OC(=O)N1CCC(NCc2ccc(-c3ccc(C(=O)N4CCOCC4)cc3)nc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 13/20 0.53
BTK Q06187 1/20 0.46
HDAC1 Q13547 1/20 0.44
RECQL P46063 1/20 0.44
ABL1 P00519 1/20 0.43
RIN1 Q13671 1/20 0.43
PIK3CA P42336 1/20 0.43
MTOR P42345 1/20 0.43
PIK3CG P48736 1/20 0.43
ATR Q13535 1/20 0.43
AURKB Q96GD4 1/20 0.43
LMNA P02545 1/20 0.42
HDAC4 P56524 1/20 0.42

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
SCHEMBL5086233 0.87 GPR119 (0.52) GPR119HDAC1HDAC4
SCHEMBL14190998 0.84 GPR119 (0.54) GPR119
SCHEMBL4097506 0.83 GPR119 (0.57) GPR119HDAC1LMNA
SCHEMBL3987089 0.82 GPR119 (0.59) GPR119
SCHEMBL5083436 0.79 USP30 (0.45) GPR119HDAC1
SCHEMBL16466490 0.78 USP30 (0.48) GPR119
SCHEMBL3984822 0.77 ALDH1A1 (0.48) GPR119
SCHEMBL3984528 0.76 GPR119 (0.49) GPR119HDAC1LMNA
SCHEMBL3983980 0.76 USP30 (0.46) GPR119HDAC1
SCHEMBL8265691 0.75 GPR119 (0.56) GPR119HDAC1LMNA

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-2059516-A1 PYRIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (publ) (SE) 2009-05-20 EP disclosed
US-20080103123-A1 New compounds BIOVITRUM (SE) 2008-05-01 US disclosed
WO-2008025798-A1 PYRIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2008-03-06 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-20080103123-A1 New compounds GPR119, GPR139, GPR180 GPR119 1/4885BTK 4325/4885HDAC1 2847/4885

“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.