SCHEMBL13320902

SCHEMBL13320902

C[C@H]1CN(C2CC2)CCN1C(=O)C1CC2(CCN(S(C)(=O)=O)CC2)C1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.63
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP2D6 P10635 2/20 0.37
CYP2C19 P33261 2/20 0.37
MAPT P10636 2/20 0.35
TSHR P16473 2/20 0.34
CYP1A2 P05177 1/20 0.34
ALOX15 P16050 1/20 0.33
TP53 P04637 1/20 0.33
CYP2C9 P11712 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 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
SCHEMBL2850253 0.96 HRH3 (0.69) HRH3KDM4EALDH1A1CYP2D6CYP2C19
SCHEMBL2842450 0.96 HRH3 (0.69) HRH3KDM4EALDH1A1CYP2D6CYP2C19
SCHEMBL2842453 0.96 HRH3 (0.69) HRH3KDM4EALDH1A1CYP2D6CYP2C19
SCHEMBL2851722 0.78 HRH3 (0.95) HRH3KDM4EALDH1A1TSHRSMN1; SMN2
SCHEMBL2841330 0.78 HRH3 (1.00) HRH3KDM4EALDH1A1CYP2D6CYP2C19
SCHEMBL2843452 0.77 HRH3 (0.49) HRH3CYP2D6CYP2C19
SCHEMBL2843455 0.77 HRH3 (0.49) HRH3CYP2D6CYP2C19
SCHEMBL2845346 0.77 HRH3 (0.49) HRH3CYP2D6CYP2C19
SCHEMBL13300110 0.76 HRH3 (0.50) HRH3ALDH1A1CYP2D6CYP2C19TSHR
SCHEMBL13299806 0.76 HRH3 (0.50) HRH3ALDH1A1CYP2D6CYP2C19TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1/4885KDM4E 1779/4885ALDH1A1 486/4885

“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.