SCHEMBL13640860

SCHEMBL13640860

CC(C)OC(=O)NC1CCCCC(N2CCC3(CC2)CN(C(=O)OC2CCC2)c2ccc(F)cc23)C1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 7/20 0.38
IDO1 P14902 2/20 0.35
KCNH2 Q12809 1/20 0.35
AXL P30530 3/20 0.35
MERTK Q12866 3/20 0.35
SETD2 Q9BYW2 3/20 0.35
CSNK1D P48730 2/20 0.35
FGFR1 P11362 1/20 0.35
KDR P35968 1/20 0.35
CYP2D6 P10635 1/20 0.34
DPP4 P27487 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
DPP7 Q9UHL4 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
SCHEMBL13641028 0.93 CTSS (0.40) CTSSIDO1KCNH2AXLMERTK
SCHEMBL13640872 0.93 CTSS (0.39) CTSSAXLMERTKSETD2DPP4
SCHEMBL13640747 0.90 CTSS (0.39) CTSSAXLMERTKSETD2
SCHEMBL13641093 0.89 MEN1 (0.38) CTSSIDO1AXLMERTKSETD2
SCHEMBL13640877 0.89 CTSS (0.38) CTSSAXLMERTKSETD2DPP4
SCHEMBL13640999 0.89 CTSS (0.40) CTSSAXLMERTKSETD2DPP4
SCHEMBL13640956 0.88 AXL (0.35) CTSSIDO1AXLMERTKSETD2
SCHEMBL13641092 0.88 CTSS (0.37) CTSSIDO1SETD2DPP4DPP8
SCHEMBL13640827 0.87 IDO1 (0.35) CTSSIDO1KCNH2AXLMERTK
SCHEMBL13640830 0.87 SETD2 (0.37) CTSSIDO1KCNH2AXLMERTK

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 3839/4885IDO1 1589/4885KCNH2 499/4885

“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.