SCHEMBL1587044

SCHEMBL1587044

O=C(O)N1CCC2(CC1)CN(C(F)(F)F)c1ccccc12

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 13/20 0.44
NOTUM Q6P988 2/20 0.43
P2RY1 P47900 4/20 0.43

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
SCHEMBL1223510 0.77 NOTUM (0.76) NPY5RNOTUM
SCHEMBL13209368 0.76 NOTUM (0.54) NPY5RNOTUMP2RY1
SCHEMBL13824485 0.75 NOTUM (0.49) NPY5RNOTUMP2RY1
SCHEMBL2801717 0.75 HDAC1 (0.65) NPY5R
SCHEMBL13209390 0.73 P2RY1 (0.55) NPY5RNOTUMP2RY1
SCHEMBL13209389 0.73 HDAC1 (0.47) NPY5RNOTUMP2RY1
SCHEMBL2354258 0.72 AKT1 (0.43) NPY5RNOTUM
SCHEMBL13209391 0.71 HDAC1 (0.48) NOTUMP2RY1
SCHEMBL30232632 0.70 NOTUM (0.61) NPY5RNOTUM
SCHEMBL12049087 0.70 HDAC1 (0.59) P2RY1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110092531-A1 Novel Spiropiperidine Compounds ELI LILLY AND COMPANY (US) 2011-04-21 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-20110092531-A1 Novel Spiropiperidine Compounds REN, SLC5A1, SLC5A2 NPY5R 524/4885NOTUM 3026/4885P2RY1 963/4885

“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.