SCHEMBL13640813

SCHEMBL13640813

CCOC(=O)NC1CCCCC(N2CCC3(CC2)CN(C(=O)c2cc(C)oc2C)c2ccc(F)cc23)C1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
PKM P14618 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
AXL P30530 2/20 0.35
MERTK Q12866 2/20 0.35
CTSS P25774 1/20 0.34
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
SETD2 Q9BYW2 1/20 0.34
FGFR1 P11362 1/20 0.33
KDR P35968 1/20 0.33
CSNK1D P48730 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
SCHEMBL13640894 0.88 MEN1 (0.40) AXLMERTKMEN1MAPK1HTT
SCHEMBL13640880 0.87 CTSS (0.37) AXLMERTKCTSSMEN1MAPK1
SCHEMBL13641030 0.87 NOTUM (0.39) AXLMERTKCTSSMEN1MAPK1
SCHEMBL13640867 0.86 MEN1 (0.38) CTSSMEN1MAPK1HTTKMT2A
SCHEMBL13640862 0.86 MEN1 (0.39) ALDH1A1AXLMERTKCTSSMEN1
SCHEMBL13640818 0.85 AXL (0.35) MAPTNPC1AXLMERTKCTSS
SCHEMBL13641008 0.85 MEN1 (0.36) AXLMERTKCTSSMEN1MAPK1
SCHEMBL13641013 0.85 CTSS (0.36) AXLMERTKCTSSMEN1MAPK1
SCHEMBL13641044 0.85 CTSS (0.39) AXLMERTKCTSSMEN1MAPK1
SCHEMBL13640948 0.85 CTSS (0.39) AXLMERTKCTSSMEN1MAPK1

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 MAPT 3023/4885ALDH1A1 1353/4885PKM 1705/4885

“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.