SCHEMBL2844182

SCHEMBL2844182

O=C(C1CC2(CCN(S(=O)(=O)c3ccccc3F)CC2)C1)N1CCCN(C2CCC2)CC1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.60
ALDH1A1 P00352 2/20 0.51
GAA P10253 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
POLB P06746 1/20 0.44

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
SCHEMBL2845840 0.86 HRH3 (0.72) HRH3ALDH1A1GAAPOLB
SCHEMBL2843040 0.85 HRH3 (0.62) HRH3ALDH1A1GAAPOLB
SCHEMBL2848564 0.83 HRH3 (0.58) HRH3MEN1KMT2APOLB
SCHEMBL2846600 0.83 HRH3 (0.70) HRH3ALDH1A1GAAPOLB
SCHEMBL13299814 0.82 ALDH1A1 (0.48) HRH3ALDH1A1GAAMEN1KMT2A
SCHEMBL2844224 0.78 HRH3 (0.93) HRH3ALDH1A1POLB
SCHEMBL2841330 0.76 HRH3 (1.00) HRH3ALDH1A1
SCHEMBL2846135 0.74 HRH3 (1.00) HRH3ALDH1A1POLB
SCHEMBL2843303 0.74 HRH3 (1.00) HRH3
SCHEMBL2845202 0.74 HRH3 (0.67) HRH3

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
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
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 486/4885GAA 2345/4885

“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.