SCHEMBL16680417

SCHEMBL16680417

CC(C)(C)OC(=O)N1[C@H](CC(=O)O)CC[C@@H]1c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.48
RIPK1 Q13546 4/20 0.43
GPR119 Q8TDV5 1/20 0.42
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
ACHE P22303 1/20 0.41
RORC P51449 1/20 0.40
NR1H2 P55055 2/20 0.40
NR1H3 Q13133 2/20 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
SCHEMBL16681762 1.00 ABCB1 (0.48) ABCB1RIPK1GPR119KDM4EPKM
SCHEMBL5149946 0.88 ABCB1 (0.52) ABCB1RIPK1GPR119KDM4EPKM
SCHEMBL475729 0.88 ABCB1 (0.52) ABCB1RIPK1GPR119KDM4EPKM
SCHEMBL3857587 0.88 ABCB1 (0.52) ABCB1RIPK1GPR119KDM4EPKM
SCHEMBL17066953 0.88 ABCB1 (0.49) ABCB1RIPK1GPR119KDM4EPKM
SCHEMBL4870228 0.87 ABCB1 (0.52) ABCB1RIPK1GPR119RORCNR1H2
SCHEMBL14074143 0.87 ABCB1 (0.52) ABCB1RIPK1GPR119RORCNR1H2
SCHEMBL2460433 0.87 GPR119 (0.45) RIPK1GPR119KDM4EPKM
SCHEMBL2460437 0.87 GPR119 (0.45) RIPK1GPR119KDM4EPKM
SCHEMBL475470 0.84 ABCB1 (0.48) ABCB1RIPK1GPR119KDM4EPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9452990-B2 Complement pathway modulators and uses thereof NOVARTIS AG (CH) 2016-09-27 US disclosed
US-9452990-B2 Complement pathway modulators and uses thereof NOVARTIS AG (CH) 2016-09-27 US disclosed
US-9452990-B2 Complement pathway modulators and uses thereof NOVARTIS AG (CH) 2016-09-27 US disclosed
EP-2864322-B1 COMPLEMENT PATHWAY MODULATORS AND USES THEREOF NOVARTIS AG (CH) 2016-04-27 EP disclosed
EP-2864322-B1 COMPLEMENT PATHWAY MODULATORS AND USES THEREOF NOVARTIS AG (CH) 2016-04-27 EP disclosed
US-20150126492-A1 Complement Pathway Modulators and Uses Thereof NOVARTIS AG (CH) 2015-05-07 US disclosed
US-20150126492-A1 Complement Pathway Modulators and Uses Thereof NOVARTIS AG (CH) 2015-05-07 US disclosed
US-20150126492-A1 Complement Pathway Modulators and Uses Thereof NOVARTIS AG (CH) 2015-05-07 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-20150126492-A1 Complement Pathway Modulators and Uses Thereof CFB, CFH, TFPI ABCB1 2671/4885RIPK1 2402/4885GPR119 66/4885

“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.