SCHEMBL9950465

SCHEMBL9950465

CC(C)(C)OC(=O)N1CC[C@@H](n2ccc3c(Cl)ncnc32)C1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SRC P12931 5/20 0.54
EGFR P00533 3/20 0.54
GPR119 Q8TDV5 2/20 0.51
ABL1 P00519 2/20 0.50
ABL2 P42684 2/20 0.50
PIK3CD O00329 5/20 0.46
CYP3A4 P08684 1/20 0.43
NR3C1 P04150 2/20 0.42
PIK3CA P42336 1/20 0.42
TNF P01375 2/20 0.41
LITAF Q99732 2/20 0.41
POLB P06746 1/20 0.40
USP30 Q70CQ3 1/20 0.40

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
SCHEMBL515118 1.00 SRC (0.54) SRCEGFRGPR119ABL1ABL2
SCHEMBL13861581 0.94 SRC (0.48) SRCEGFRGPR119ABL1ABL2
SCHEMBL13861580 0.94 SRC (0.48) SRCEGFRGPR119ABL1ABL2
SCHEMBL515111 0.94 GPR119 (0.57) SRCEGFRGPR119ABL1ABL2
SCHEMBL26811380 0.91 GPR119 (0.46) SRCEGFRGPR119ABL1ABL2
SCHEMBL1442019 0.84 SLC22A12 (0.40) SRCEGFRGPR119
SCHEMBL12395349 0.82 GPR119 (0.46) GPR119
SCHEMBL29927091 0.82 SRC (0.57) SRCEGFRGPR119ABL1ABL2
SCHEMBL28902638 0.82 SRC (0.57) SRCEGFRGPR119ABL1ABL2
SCHEMBL28902640 0.82 SRC (0.57) SRCEGFRGPR119ABL1ABL2

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-20120165310-A1 ETHER DERIVATIVES OF BICYCLIC HETEROARYLS NOVARTIS AG (CH) 2012-06-28 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-20120165310-A1 ETHER DERIVATIVES OF BICYCLIC HETEROARYLS ETV6, CYP11B2, CYP11B1 SRC 292/4885EGFR 132/4885GPR119 1396/4885

“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.