SCHEMBL13640774

SCHEMBL13640774

COCCOC(=O)NC1CCCCC(N2CCC3(CC2)CN(C(=O)O[C@@H]2CCOC2)c2ccc(F)cc23)C1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.36
SETD2 Q9BYW2 1/20 0.35
ADAM10 O14672 1/20 0.35
IDO1 P14902 2/20 0.35
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
CCR2 P41597 1/20 0.32
KCNH2 Q12809 1/20 0.32
AXL P30530 1/20 0.32
MERTK Q12866 1/20 0.32
CNR2 P34972 2/20 0.32
JAK2 O60674 2/20 0.31
JAK1 P23458 2/20 0.31

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
SCHEMBL13640942 0.94 CTSS (0.36) CTSSSETD2ADAM10IDO1TYK2
SCHEMBL13640736 0.94 CTSS (0.36) CTSSSETD2ADAM10IDO1TYK2
SCHEMBL13640807 0.94 CTSS (0.37) CTSSSETD2ADAM10IDO1CCR2
SCHEMBL13640827 0.94 IDO1 (0.35) CTSSSETD2IDO1KCNH2AXL
SCHEMBL13640780 0.92 ADAM10 (0.37) CTSSSETD2ADAM10IDO1AXL
SCHEMBL13640717 0.91 CTSS (0.35) CTSSSETD2AXLMERTK
SCHEMBL13640843 0.91 IDO1 (0.35) CTSSSETD2IDO1AXLMERTK
SCHEMBL13640878 0.91 IDO1 (0.37) CTSSSETD2ADAM10IDO1CCR2
SCHEMBL13640770 0.91 IDO1 (0.37) CTSSSETD2ADAM10IDO1CCR2
SCHEMBL13640841 0.89 CTSS (0.37) CTSSSETD2ADAM10IDO1CCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8497295-B2 Spiroindoline modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-30 US disclosed
US-20120283243-A1 Spiroindoline Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-08 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-20120283243-A1 Spiroindoline Modulators of Muscarinic Receptors CHRM3, CHRM2, CHRM5 CTSS 3839/4885SETD2 3573/4885ADAM10 3798/4885

“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.