SCHEMBL4099802

SCHEMBL4099802

CC(C)(C)OC(=O)N1CC2CC1CN2c1n[nH]c2cc(F)ccc12

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.48
GPR119 Q8TDV5 1/20 0.41
HSD11B1 P28845 1/20 0.40
HDAC1 Q13547 1/20 0.40
MAPK1 P28482 1/20 0.39
ABL1 P00519 3/20 0.39
BCR P11274 3/20 0.39
RET P07949 2/20 0.39
PLK1 P53350 2/20 0.38
FAAH O00519 1/20 0.37
MAP2K4 P45985 3/20 0.37
MAPK8 P45983 1/20 0.36
F13A1 P00488 1/20 0.36
TGM2 P21980 1/20 0.36
TGM1 P22735 1/20 0.36

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
SCHEMBL30833781 0.88 PARP1 (0.48) PARP1GPR119HSD11B1HDAC1ABL1
SCHEMBL30833695 0.85 PARP1 (0.45) PARP1GPR119HSD11B1HDAC1ABL1
SCHEMBL13118692 0.77 FAAH (0.48) PARP1GPR119HSD11B1HDAC1RET
SCHEMBL22772747 0.77 FAAH (0.48) PARP1GPR119HSD11B1HDAC1RET
SCHEMBL24989562 0.76 FAAH (0.52) PARP1GPR119HSD11B1HDAC1RET
SCHEMBL23043459 0.76 FAAH (0.52) PARP1GPR119HSD11B1HDAC1RET
SCHEMBL21309174 0.75 HDAC1 (0.48) PARP1GPR119HSD11B1HDAC1RET
SCHEMBL21309172 0.75 HDAC1 (0.48) PARP1GPR119HSD11B1HDAC1RET
SCHEMBL30447225 0.75 HDAC1 (0.48) PARP1GPR119HSD11B1HDAC1RET
SCHEMBL25958560 0.75 HDAC1 (0.48) PARP1GPR119HSD11B1HDAC1RET

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
US-7582631-B2 Paget's disease; muscular disorders; cardiovascular disorders; antiinflamamtory agents; antidiabetic agents; autoimmune disease; leukemia AMGEN INC. (US) 2009-09-01 US disclosed
US-20090149468-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2009-06-11 US disclosed
US-20050182072-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-08-18 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 (2 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-20090149468-A1 Substituted heterocyclic compounds and methods of use HLA-DRB1, PRKDC, NFATC1 PARP1 1569/4885GPR119 701/4885HSD11B1 1378/4885
US-20050182072-A1 Substituted heterocyclic compounds and methods of use HLA-DRB1, PRKDC, NFATC1 PARP1 2042/4885GPR119 527/4885HSD11B1 1445/4885

“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.