SCHEMBL2850164

SCHEMBL2850164

O=C(C1CC2(CCNCC2)C1)N1CCN(C2CCC2)CC1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 17/20 0.67
KCNH2 Q12809 1/20 0.49
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
L3MBTL3 Q96JM7 1/20 0.43
L3MBTL1 Q9Y468 1/20 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
SCHEMBL2845292 0.96 HRH3 (0.70) HRH3KCNH2L3MBTL3L3MBTL1
SCHEMBL2848858 0.86 HRH3 (0.54) HRH3KCNH2L3MBTL3L3MBTL1
SCHEMBL2845239 0.83 HRH3 (0.74) HRH3KCNH2
SCHEMBL3859469 0.82 CHRNB2 (0.56) HRH3KCNH2CHRNB2CHRNA3CHRNA4
Hydrochloric Acid SCHEMBL3859447 0.80 CHRNB2 (0.55) HRH3KCNH2CHRNB2CHRNA3CHRNA4
SCHEMBL2798402 0.80 HRH3 (0.92) HRH3KCNH2
SCHEMBL2841330 0.80 HRH3 (1.00) HRH3KCNH2L3MBTL1
SCHEMBL12696048 0.79 CHRNB2 (0.49) HRH3CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL3857638 0.78 HRH3 (0.53) HRH3KCNH2CHRNB2CHRNA3CHRNA4
SCHEMBL25856040 0.78 CHRNB2 (0.47) HRH3CHRNB2CHRNA3CHRNA4CHRNB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010062245-A1 SPIROCYCLOBUTYL PIPERIDINE DERIVATIVES ASTRAZENECA AB (SE) 2010-06-03 WO disclosed
WO-2010062245-A1 SPIROCYCLOBUTYL PIPERIDINE DERIVATIVES ASTRAZENECA AB (SE) 2010-06-03 WO disclosed
US-20100130477-A1 Spirocyclobutyl Piperidine Derivatives ASTRAZENECA AB (SE) 2010-05-27 US disclosed
US-20100130477-A1 Spirocyclobutyl Piperidine Derivatives ASTRAZENECA AB (SE) 2010-05-27 US disclosed
US-20100130477-A1 Spirocyclobutyl Piperidine Derivatives ASTRAZENECA AB (SE) 2010-05-27 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-20100130477-A1 Spirocyclobutyl Piperidine Derivatives HRH3, HRH4, HRH2 HRH3 1/4885KCNH2 1341/4885CHRNB2 586/4885

“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.