SCHEMBL2850253

SCHEMBL2850253

C[C@@H]1CN(C2CCC2)CCN1C(=O)C1CC2(CCN(S(C)(=O)=O)CC2)C1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.69
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP2C19 P33261 2/20 0.39
CYP2D6 P10635 1/20 0.39
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
CNR1 P21554 1/20 0.34
KDM2B Q8NHM5 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL2842450 1.00 HRH3 (0.69) HRH3ALDH1A1KDM4ECYP2C19CYP2D6
SCHEMBL2842453 1.00 HRH3 (0.69) HRH3ALDH1A1KDM4ECYP2C19CYP2D6
SCHEMBL13320902 0.96 HRH3 (0.63) HRH3ALDH1A1KDM4ECYP2C19CYP2D6
SCHEMBL2841330 0.82 HRH3 (1.00) HRH3ALDH1A1KDM4ECYP2C19CYP2D6
SCHEMBL2851722 0.79 HRH3 (0.95) HRH3ALDH1A1KDM4ETSHR
SCHEMBL13261925 0.78 MAPT (0.56) HRH3ALDH1A1GAATSHRCNR1
SCHEMBL13261797 0.78 MAPT (0.56) HRH3ALDH1A1GAATSHRCNR1
SCHEMBL2850390 0.77 HRH3 (0.69) HRH3ALDH1A1CYP2C19CYP2D6GAA
SCHEMBL2850391 0.77 HRH3 (0.69) HRH3ALDH1A1CYP2C19CYP2D6GAA
SCHEMBL2845346 0.76 HRH3 (0.49) HRH3CYP2C19CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100130477-A1 Spirocyclobutyl Piperidine Derivatives ASTRAZENECA AB (SE) 2010-05-27 US claimed
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 1/4885ALDH1A1 486/4885KDM4E 1779/4885

“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.