SCHEMBL13640807

SCHEMBL13640807

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

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.37
ADAM10 O14672 1/20 0.36
SETD2 Q9BYW2 1/20 0.35
IDO1 P14902 1/20 0.34
AXL P30530 2/20 0.33
MERTK Q12866 2/20 0.33
CNR2 P34972 2/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
JAK2 O60674 3/20 0.32
JAK1 P23458 3/20 0.32
CCR2 P41597 1/20 0.32
KCNH2 Q12809 1/20 0.32
FGFR1 P11362 1/20 0.31
KDR P35968 1/20 0.31
CSNK1D P48730 1/20 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
SCHEMBL13640780 0.95 ADAM10 (0.37) CTSSADAM10SETD2IDO1AXL
SCHEMBL13640774 0.94 CTSS (0.36) CTSSADAM10SETD2IDO1AXL
SCHEMBL13640956 0.93 AXL (0.35) CTSSSETD2IDO1AXLMERTK
SCHEMBL13640878 0.92 IDO1 (0.37) CTSSADAM10SETD2IDO1AXL
SCHEMBL13640770 0.92 IDO1 (0.37) CTSSADAM10SETD2IDO1AXL
SCHEMBL13640830 0.90 SETD2 (0.37) CTSSADAM10SETD2IDO1AXL
SCHEMBL13641038 0.90 CTSS (0.35) CTSSSETD2AXLMERTKMEN1
SCHEMBL13641028 0.89 CTSS (0.40) CTSSADAM10SETD2IDO1AXL
SCHEMBL13640841 0.89 CTSS (0.37) CTSSADAM10SETD2IDO1AXL
SCHEMBL13640767 0.89 CTSS (0.37) CTSSADAM10SETD2IDO1AXL

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 3839/4885ADAM10 3798/4885SETD2 3573/4885

“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.