SCHEMBL13640854

SCHEMBL13640854

CC(=O)N(C)[C@H]1CC2(CCN(C[C@@H](C)C3CCCC3)CC2)c2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.36
OPRD1 P41143 1/20 0.36
MCHR2 Q969V1 9/20 0.36
DRD2 P14416 2/20 0.34
SLC6A4 P31645 2/20 0.34
CCR5 P51681 2/20 0.34
HRH3 Q9Y5N1 1/20 0.32
KMT2A Q03164 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
PLD1 Q13393 1/20 0.32
HSD11B1 P28845 1/20 0.32
HSD11B2 P80365 1/20 0.32

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
SCHEMBL13640901 0.91 OPRD1 (0.35) KCNH2OPRD1MCHR2DRD2SLC6A4
SCHEMBL13644040 0.89 MCHR2 (0.35) KCNH2OPRD1MCHR2DRD2SLC6A4
SCHEMBL13640967 0.88 SIGMAR1 (0.35) KCNH2OPRD1HRH3SIGMAR1
SCHEMBL13640826 0.84 CCR5 (0.35) KCNH2OPRD1MCHR2CCR5SIGMAR1
SCHEMBL12199157 0.83 SIGMAR1 (0.50) OPRD1DRD2SIGMAR1
SCHEMBL13644085 0.81 OPRD1 (0.34) KCNH2OPRD1MCHR2DRD2SLC6A4
SCHEMBL13640716 0.80 MCHR2 (0.53) KCNH2MCHR2DRD2SLC6A4SIGMAR1
SCHEMBL13640732 0.78 MCHR2 (0.45) KCNH2MCHR2DRD2SLC6A4HSD11B1
SCHEMBL13644003 0.78 MCHR2 (0.34) KCNH2OPRD1MCHR2DRD2SLC6A4
SCHEMBL12293597 0.77 SIGMAR1 (0.39) OPRD1MCHR2DRD2SIGMAR1

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 KCNH2 499/4885OPRD1 221/4885MCHR2 179/4885

“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.