SCHEMBL13640750

SCHEMBL13640750

CS(=O)(=O)N1CC2(CCN(C3CCCCC(NC(=O)OC4CCC4)C3)CC2)c2cc(F)ccc21

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SETD2 Q9BYW2 5/20 0.41
NPY5R Q15761 8/20 0.37
HTR3A P46098 2/20 0.37
TACR1 P25103 1/20 0.37
AKT1 P31749 1/20 0.36
CTSS P25774 1/20 0.36
ALDH1A1 P00352 1/20 0.35
NSD2 O96028 2/20 0.35
CYP2C8 P10632 2/20 0.35
DRD2 P14416 1/20 0.35
HTR1B P28222 1/20 0.35
CYP2C9 P11712 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL13641039 0.93 SETD2 (0.37) SETD2NPY5RHTR3ATACR1AKT1
SCHEMBL13640775 0.93 SETD2 (0.37) SETD2NPY5RHTR3ATACR1AKT1
SCHEMBL13641025 0.93 SETD2 (0.41) SETD2NPY5RHTR3ATACR1AKT1
SCHEMBL13640957 0.89 SETD2 (0.41) SETD2NPY5RHTR3ATACR1AKT1
SCHEMBL13640875 0.89 SETD2 (0.41) SETD2NPY5RHTR3ATACR1AKT1
SCHEMBL13640990 0.88 SETD2 (0.38) SETD2NPY5RHTR3ATACR1AKT1
SCHEMBL13640905 0.87 NOTUM (0.39) SETD2AKT1CTSSNSD2CYP2C8
SCHEMBL13641037 0.84 AXL (0.37) SETD2CTSSNSD2CYP2C8DRD2
SCHEMBL12084274 0.82 PSEN1 (0.39) NPY5RHTR3ATACR1AKT1
SCHEMBL12084908 0.81 NPY5R (0.38) NPY5RTACR1AKT1CTSS

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 3573/4885NPY5R 663/4885HTR3A 152/4885

“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.