SCHEMBL13640775

SCHEMBL13640775

CS(=O)(=O)N1CC2(CCN(C3CCCCC(NC(=O)O[C@@H]4CCOC4)C3)CC2)c2cc(F)ccc21

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SETD2 Q9BYW2 2/20 0.37
CTSS P25774 2/20 0.37
ADAM10 O14672 1/20 0.36
NPY5R Q15761 8/20 0.35
TACR1 P25103 1/20 0.35
AKT1 P31749 1/20 0.34
HRH3 Q9Y5N1 2/20 0.34
CCR2 P41597 1/20 0.33
KCNH2 Q12809 1/20 0.33
HTR3A P46098 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
SCHEMBL13641039 1.00 SETD2 (0.37) SETD2CTSSADAM10NPY5RTACR1
SCHEMBL13640750 0.93 SETD2 (0.41) SETD2CTSSNPY5RTACR1AKT1
SCHEMBL13641025 0.89 SETD2 (0.41) SETD2CTSSNPY5RTACR1AKT1
SCHEMBL13640801 0.88 CTSS (0.38) SETD2CTSSADAM10AKT1HRH3
SCHEMBL13640718 0.88 CTSS (0.38) SETD2CTSSADAM10AKT1HRH3
SCHEMBL13640767 0.87 CTSS (0.37) SETD2CTSSADAM10HRH3CCR2
SCHEMBL13640841 0.87 CTSS (0.37) SETD2CTSSADAM10HRH3CCR2
SCHEMBL13640878 0.87 IDO1 (0.37) SETD2CTSSADAM10HRH3CCR2
SCHEMBL13640770 0.87 IDO1 (0.37) SETD2CTSSADAM10HRH3CCR2
SCHEMBL12084910 0.86 ADAM10 (0.37) CTSSADAM10NPY5RTACR1AKT1

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 3573/4885CTSS 3839/4885ADAM10 3798/4885

“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.