SCHEMBL4510643

SCHEMBL4510643

O=C1CCCN1[C@@H]1C[C@H]2CC[C@@H]1C2

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.44
CHRNB4 P30926 2/20 0.44
CHRNA3 P32297 2/20 0.44
CHRNA7 P36544 2/20 0.44
CHRNA4 P43681 2/20 0.44
ALDH1A1 P00352 2/20 0.42
ADORA2A P29274 2/20 0.38
HCAR1 Q9BXC0 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP11B2 P19099 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL4510648 1.00 CHRNB2 (0.44) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Hydrochloric Acid SCHEMBL1583873 0.73 SIGMAR1 (0.35) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL2989136 0.72 BRD4 (0.40) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL2996425 0.72 BRD4 (0.40) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL206786 0.72 CHRNB2 (0.40) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL2989139 0.72 BRD4 (0.40) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL2989133 0.72 BRD4 (0.40) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL2996422 0.72 BRD4 (0.40) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL4504957 0.71 HCAR1 (0.38) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL4504953 0.71 HCAR1 (0.38) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
EP-1864971-A1 PROPHYLACTIC/THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2007-12-12 EP 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-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes HSD11B1, HSD17B1, HSD11B2 CHRNB2 4048/4885CHRNB4 3771/4885CHRNA3 3889/4885

“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.