SCHEMBL13640802

SCHEMBL13640802

O=C(NC1CCCCC(N2CCC3(CCc4ccccc43)CC2)C1)O[C@@H]1CCOC1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.47
SLC18A3 Q16572 2/20 0.47
HSD11B1 P28845 1/20 0.42
HRH3 Q9Y5N1 3/20 0.41
OPRL1 P41146 4/20 0.37
OPRM1 P35372 3/20 0.37
RBP4 P02753 1/20 0.37
KCNH2 Q12809 1/20 0.36

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
SCHEMBL13641011 1.00 SIGMAR1 (0.47) SIGMAR1SLC18A3HSD11B1HRH3OPRL1
SCHEMBL13640903 0.92 SIGMAR1 (0.51) SIGMAR1SLC18A3HSD11B1HRH3OPRL1
SCHEMBL13640806 0.91 SIGMAR1 (0.50) SIGMAR1SLC18A3HSD11B1HRH3OPRL1
SCHEMBL13641004 0.84 AVPR1A (0.35) HRH3OPRL1OPRM1KCNH2
SCHEMBL13640829 0.82 SIGMAR1 (0.49) SIGMAR1SLC18A3HSD11B1OPRL1OPRM1
SCHEMBL13641009 0.82 SIGMAR1 (0.49) SIGMAR1SLC18A3HSD11B1
SCHEMBL12084796 0.81 SIGMAR1 (0.43) SIGMAR1SLC18A3HSD11B1HRH3OPRL1
SCHEMBL12084345 0.81 SIGMAR1 (0.43) SIGMAR1SLC18A3HSD11B1HRH3OPRL1
SCHEMBL13640962 0.80 BACE1 (0.45) HRH3OPRL1OPRM1
SCHEMBL13644088 0.80 SIGMAR1 (0.43) SIGMAR1SLC18A3HSD11B1HRH3OPRL1

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 SIGMAR1 253/4885SLC18A3 319/4885HSD11B1 862/4885

“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.