SCHEMBL13640901

SCHEMBL13640901

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

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 2/20 0.35
KCNH2 Q12809 2/20 0.35
MCHR2 Q969V1 8/20 0.34
CCR5 P51681 2/20 0.33
METAP2 P50579 2/20 0.33
OPRM1 P35372 1/20 0.32
OPRK1 P41145 1/20 0.32
DRD2 P14416 2/20 0.32
SLC6A4 P31645 2/20 0.32
HRH3 Q9Y5N1 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
SCHEMBL13640854 0.91 KCNH2 (0.36) OPRD1KCNH2MCHR2CCR5DRD2
SCHEMBL13644085 0.90 OPRD1 (0.34) OPRD1KCNH2MCHR2CCR5OPRM1
SCHEMBL13640967 0.87 SIGMAR1 (0.35) OPRD1KCNH2OPRM1OPRK1HRH3
SCHEMBL13640826 0.83 CCR5 (0.35) OPRD1KCNH2MCHR2CCR5
SCHEMBL13643888 0.81 OPRM1 (0.33) OPRD1KCNH2MCHR2CCR5OPRM1
SCHEMBL13644040 0.80 MCHR2 (0.35) OPRD1KCNH2MCHR2CCR5DRD2
SCHEMBL13640732 0.80 MCHR2 (0.45) KCNH2MCHR2OPRM1OPRK1DRD2
SCHEMBL13641135 0.79 HSD11B1 (0.35) OPRD1KCNH2MCHR2CCR5OPRM1
SCHEMBL12899253 0.78 SIGMAR1 (0.37) OPRD1KCNH2CCR5OPRM1OPRK1
SCHEMBL15339915 0.78 OPRM1 (0.37) OPRD1KCNH2MCHR2CCR5OPRM1

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 OPRD1 221/4885KCNH2 499/4885MCHR2 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.