SCHEMBL13640862

SCHEMBL13640862

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
CTSS P25774 1/20 0.36
CHRM1 P11229 1/20 0.35
SETD2 Q9BYW2 4/20 0.35
DPP4 P27487 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
NSD2 O96028 1/20 0.35
CYP2C8 P10632 1/20 0.35
DRD2 P14416 1/20 0.35
HTR1B P28222 1/20 0.35
AXL P30530 1/20 0.35
MERTK Q12866 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HRH3 Q9Y5N1 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
SCHEMBL13641038 0.94 CTSS (0.35) MEN1KMT2AMAPK1HTTCTSS
SCHEMBL13640819 0.93 MEN1 (0.37) MEN1KMT2AMAPK1HTTCTSS
SCHEMBL13641093 0.93 MEN1 (0.38) MEN1KMT2AMAPK1HTTCTSS
SCHEMBL13641030 0.93 NOTUM (0.39) MEN1KMT2AMAPK1HTTCTSS
SCHEMBL13640779 0.92 AXL (0.37) CTSSSETD2DPP4DPP8DPP9
SCHEMBL13641014 0.92 MEN1 (0.39) MEN1KMT2AMAPK1HTTCTSS
SCHEMBL13640717 0.92 CTSS (0.35) CTSSSETD2NSD2CYP2C8DRD2
SCHEMBL13640987 0.91 CTSS (0.38) CTSSDPP4DPP8DPP9DPP7
SCHEMBL13640880 0.91 CTSS (0.37) MEN1KMT2AMAPK1HTTCTSS
SCHEMBL13641013 0.90 CTSS (0.36) MEN1KMT2AMAPK1HTTCTSS

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 1927/4885MAPK1 3172/4885

“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.