SCHEMBL13640867

SCHEMBL13640867

CCOC(=O)NC1CCCCC(N2CCC3(CC2)CN(C(=O)C2CCC2)c2ccc(F)cc23)C1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
DPP4 P27487 3/20 0.38
DPP8 Q6V1X1 3/20 0.38
DPP9 Q86TI2 3/20 0.38
DPP7 Q9UHL4 3/20 0.38
CTSS P25774 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
SETD2 Q9BYW2 4/20 0.36
NSD2 O96028 1/20 0.36
CYP2C8 P10632 1/20 0.36
DRD2 P14416 1/20 0.36
HTR1B P28222 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
ACKR3 P25106 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL13640880 0.98 CTSS (0.37) MEN1KMT2ADPP4DPP8DPP9
SCHEMBL13640811 0.94 DPP4 (0.37) MEN1KMT2ADPP4DPP8DPP9
SCHEMBL13640899 0.92 CTSS (0.36) MEN1KMT2ADPP4DPP8DPP9
SCHEMBL13641030 0.91 NOTUM (0.39) MEN1KMT2ACTSSMAPK1HTT
SCHEMBL13640862 0.90 MEN1 (0.39) MEN1KMT2ADPP4DPP8DPP9
SCHEMBL13641093 0.90 MEN1 (0.38) MEN1KMT2ACTSSMAPK1HTT
SCHEMBL13641010 0.89 CTSS (0.36) DPP4DPP8DPP9DPP7CTSS
SCHEMBL13640948 0.89 CTSS (0.39) MEN1KMT2ADPP4DPP8DPP9
SCHEMBL13641013 0.89 CTSS (0.36) MEN1KMT2ACTSSMAPK1HTT
SCHEMBL13640894 0.89 MEN1 (0.40) MEN1KMT2AMAPK1HTTACKR3

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 MEN1 2451/4885KMT2A 1927/4885DPP4 1831/4885

“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.