SCHEMBL8173191

SCHEMBL8173191

O=C(C1CC12CCN(P)CC2)N1CCNCC1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 16/20 0.52
KCNH2 Q12809 1/20 0.47
CHRNB2 P17787 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA4 P43681 1/20 0.44
CHRNB3 Q05901 1/20 0.44
CHRNA6 Q15825 1/20 0.44
EPHX2 P34913 1/20 0.40
HSD11B1 P28845 1/20 0.39

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
SCHEMBL30233086 0.88 HRH3 (0.59) HRH3KCNH2CHRNB2CHRNA3CHRNA4
SCHEMBL8176884 0.87 HRH3 (0.63) HRH3KCNH2CHRNB2CHRNA3CHRNA4
SCHEMBL8167962 0.86 HRH3 (0.55) HRH3KCNH2
SCHEMBL16600284 0.78 HRH3 (0.68) HRH3KCNH2CHRNB2CHRNA3CHRNA4
SCHEMBL2800715 0.77 HRH3 (0.78) HRH3KCNH2
SCHEMBL2829052 0.74 HRH3 (0.63) HRH3KCNH2HSD11B1
SCHEMBL8165630 0.73 HRH3 (0.37) HRH3KCNH2
SCHEMBL24433453 0.72 HRH3 (0.86) HRH3KCNH2
SCHEMBL27209196 0.72 CHRNB2 (0.55) HRH3CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL13232434 0.70 HRH3 (0.58) HRH3KCNH2CHRNB2CHRNA3CHRNA4

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-20100168105-A1 Spirocyclopropyl Piperidine Derivatives ASTRAZENECA AB (SE) 2010-07-01 US disclosed
US-20100168105-A1 Spirocyclopropyl Piperidine Derivatives ASTRAZENECA AB (SE) 2010-07-01 US disclosed
WO-2008147314-A1 SPIROCYCLOPROPYL PIPERIDINE DERIVATIVES ASTRAZENECA AB (SE) 2008-12-04 WO 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-20100168105-A1 Spirocyclopropyl Piperidine Derivatives HRH3, HRH2, HRH4 HRH3 1/4885KCNH2 1140/4885CHRNB2 515/4885

“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.