SCHEMBL2844050

SCHEMBL2844050

CC(C)N1CCN(C(=O)C2CC3(CCN(S(C)(=O)=O)CC3)C2)CC1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.67
CYP2D6 P10635 2/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALOX15 P16050 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
SCHEMBL2847127 0.95 HRH3 (0.65) HRH3CYP2D6CYP2C19SMN1; SMN2TSHR
SCHEMBL23742709 0.81 SMN1; SMN2 (0.63) HRH3SMN1; SMN2TSHRHTTL3MBTL1
SCHEMBL2851033 0.81 HRH3 (0.57) HRH3CYP2D6CYP2C19SMN1; SMN2TSHR
SCHEMBL2840597 0.81 HRH3 (0.57) HRH3CYP2D6CYP2C19SMN1; SMN2TSHR
SCHEMBL2840594 0.81 HRH3 (0.57) HRH3CYP2D6CYP2C19SMN1; SMN2TSHR
SCHEMBL13299854 0.81 HRH3 (0.66) HRH3CYP2D6CYP2C19SMN1; SMN2TSHR
SCHEMBL2851722 0.80 HRH3 (0.95) HRH3SMN1; SMN2TSHR
SCHEMBL2841330 0.80 HRH3 (1.00) HRH3CYP2D6CYP2C19SMN1; SMN2TSHR
SCHEMBL2846986 0.80 HRH3 (0.60) HRH3SMN1; SMN2
SCHEMBL2844422 0.79 HRH3 (0.60) HRH3CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010062245-A1 SPIROCYCLOBUTYL PIPERIDINE DERIVATIVES ASTRAZENECA AB (SE) 2010-06-03 WO claimed
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 1/4885CYP2D6 1679/4885CYP2C19 1910/4885

“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.