SCHEMBL13640979

SCHEMBL13640979

C[C@@H](CN1CCC2(CC1)CC(=O)c1ccccc12)[C@H]1C=CCC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.47
CCR5 P51681 1/20 0.40
SIGMAR1 Q99720 7/20 0.39
OPRM1 P35372 3/20 0.39
PLD1 Q13393 1/20 0.37
SLC18A3 Q16572 3/20 0.35
KCNH2 Q12809 3/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CYP2D6 P10635 1/20 0.32
DRD2 P14416 2/20 0.32
ALDH1A1 P00352 1/20 0.32
KCNJ1 P48048 3/20 0.31

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
SCHEMBL13644083 0.88 HRH3 (0.41) HRH3CCR5SIGMAR1OPRM1PLD1
SCHEMBL13640765 0.80 SIGMAR1 (0.32) SIGMAR1OPRM1PLD1SLC18A3
SCHEMBL13640989 0.79 SIGMAR1 (0.51) SIGMAR1OPRM1SLC18A3CYP2D6ALDH1A1
SCHEMBL13640814 0.79 SIGMAR1 (0.51) SIGMAR1OPRM1SLC18A3CYP2D6ALDH1A1
SCHEMBL13640762 0.77 OPRM1 (0.53) OPRM1PLD1
SCHEMBL13643964 0.76 HRH3 (0.40) HRH3CCR5SIGMAR1OPRM1KCNH2
SCHEMBL13643930 0.76 HRH3 (0.40) HRH3CCR5SIGMAR1OPRM1KCNH2
SCHEMBL13640885 0.74 MCHR2 (0.51) SIGMAR1PLD1SLC18A3KCNH2HDAC1
SCHEMBL13641051 0.74 HDAC1 (0.44) SIGMAR1SLC18A3HDAC1HDAC8HDAC6
SCHEMBL13640906 0.74 MCHR2 (0.51) SIGMAR1PLD1SLC18A3KCNH2HDAC1

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 HRH3 261/4885CCR5 293/4885SIGMAR1 253/4885

“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.