SCHEMBL13640875

SCHEMBL13640875

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SETD2 Q9BYW2 3/20 0.41
TACR1 P25103 3/20 0.38
NPY5R Q15761 6/20 0.37
CHRM4 P08173 1/20 0.37
CHRM1 P11229 1/20 0.37
KCNH2 Q12809 1/20 0.37
MEN1 O00255 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
CTSS P25774 2/20 0.36
AKT1 P31749 1/20 0.36
HTR3A P46098 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
SCHEMBL13640990 0.94 SETD2 (0.38) SETD2TACR1NPY5RCTSSAKT1
SCHEMBL13641025 0.92 SETD2 (0.41) SETD2TACR1NPY5RCTSSAKT1
SCHEMBL13640750 0.89 SETD2 (0.41) SETD2TACR1NPY5RKCNH2CTSS
SCHEMBL13640957 0.89 SETD2 (0.41) SETD2TACR1NPY5RCTSSAKT1
SCHEMBL13641030 0.87 NOTUM (0.39) SETD2MEN1MAPK1HTTKMT2A
SCHEMBL13640862 0.86 MEN1 (0.39) SETD2CHRM1MEN1MAPK1HTT
SCHEMBL13641039 0.86 SETD2 (0.37) SETD2TACR1NPY5RKCNH2CTSS
SCHEMBL13640775 0.86 SETD2 (0.37) SETD2TACR1NPY5RKCNH2CTSS
SCHEMBL13640880 0.85 CTSS (0.37) SETD2MEN1MAPK1HTTKMT2A
SCHEMBL13640867 0.85 MEN1 (0.38) SETD2MEN1MAPK1HTTKMT2A

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 SETD2 3573/4885TACR1 26/4885NPY5R 663/4885

“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.