SCHEMBL13640780

SCHEMBL13640780

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

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADAM10 O14672 3/20 0.37
CTSS P25774 1/20 0.37
SETD2 Q9BYW2 1/20 0.37
IDO1 P14902 2/20 0.36
MEN1 O00255 2/20 0.35
MAPK1 P28482 2/20 0.35
KMT2A Q03164 2/20 0.35
HTT P42858 1/20 0.35
AXL P30530 1/20 0.33
MERTK Q12866 1/20 0.33
HRH3 Q9Y5N1 3/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL13640807 0.95 CTSS (0.37) ADAM10CTSSSETD2IDO1MEN1
SCHEMBL13641093 0.93 MEN1 (0.38) CTSSSETD2IDO1MEN1MAPK1
SCHEMBL13640878 0.93 IDO1 (0.37) ADAM10CTSSSETD2IDO1AXL
SCHEMBL13640770 0.93 IDO1 (0.37) ADAM10CTSSSETD2IDO1AXL
SCHEMBL13640774 0.92 CTSS (0.36) ADAM10CTSSSETD2IDO1AXL
SCHEMBL13640830 0.91 SETD2 (0.37) ADAM10CTSSSETD2IDO1AXL
SCHEMBL13641028 0.90 CTSS (0.40) ADAM10CTSSSETD2IDO1AXL
SCHEMBL13640841 0.90 CTSS (0.37) ADAM10CTSSSETD2IDO1AXL
SCHEMBL13640767 0.90 CTSS (0.37) ADAM10CTSSSETD2IDO1AXL
SCHEMBL13640862 0.89 MEN1 (0.39) CTSSSETD2MEN1MAPK1KMT2A

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 ADAM10 3798/4885CTSS 3839/4885SETD2 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.