SCHEMBL13640966

SCHEMBL13640966

CS(=O)(=O)N[C@@H]1CC2(CCN(C[C@H]3C[C@H]4CC[C@H]3CC4)CC2)c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR2 Q969V1 8/20 0.38
DRD2 P14416 2/20 0.38
SLC6A4 P31645 2/20 0.38
KCNH2 Q12809 1/20 0.38
HSD11B1 P28845 2/20 0.37
HSD11B2 P80365 1/20 0.37
OPRM1 P35372 2/20 0.36
OPRK1 P41145 2/20 0.36
OPRL1 P41146 2/20 0.36
NAE1 Q13564 4/20 0.34
UBA3 Q8TBC4 4/20 0.34
CCR5 P51681 3/20 0.33
UBA1 P22314 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
SCHEMBL15339903 0.95 OPRM1 (0.39) MCHR2DRD2SLC6A4KCNH2HSD11B1
SCHEMBL12928771 0.95 OPRM1 (0.39) MCHR2DRD2SLC6A4KCNH2HSD11B1
SCHEMBL12084543 0.95 OPRM1 (0.39) MCHR2DRD2SLC6A4KCNH2HSD11B1
SCHEMBL13644014 0.85 MCHR2 (0.36) MCHR2DRD2SLC6A4KCNH2HSD11B1
SCHEMBL13641168 0.84 MCHR2 (0.53) MCHR2DRD2SLC6A4KCNH2HSD11B1
SCHEMBL13641174 0.84 MCHR2 (0.53) MCHR2DRD2SLC6A4KCNH2HSD11B1
SCHEMBL12084110 0.84 MCHR2 (0.53) MCHR2DRD2SLC6A4KCNH2HSD11B1
SCHEMBL12899229 0.84 SIGMAR1 (0.39) MCHR2DRD2SLC6A4KCNH2HSD11B1
SCHEMBL13644004 0.82 MCHR2 (0.35) MCHR2DRD2SLC6A4KCNH2HSD11B1
SCHEMBL12084723 0.82 OPRM1 (0.40) MCHR2DRD2SLC6A4KCNH2HSD11B1

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 MCHR2 179/4885DRD2 491/4885SLC6A4 827/4885

“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.