SCHEMBL2845259

SCHEMBL2845259

O=C(CCc1ccncc1)N1CCC2(CC1)CC(C(=O)N1CCN(C3CCC3)CC1)C2

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.59
ALDH1A1 P00352 3/20 0.49
KMT2A Q03164 2/20 0.49
TSHR P16473 1/20 0.49
L3MBTL3 Q96JM7 1/20 0.44
KDM4E B2RXH2 2/20 0.44
ITGB3 P05106 2/20 0.44
ITGA2B P08514 2/20 0.44
MEN1 O00255 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
SCHEMBL2848920 0.90 HRH3 (0.61) HRH3ALDH1A1KMT2AKDM4EITGB3
SCHEMBL2848874 0.84 HRH3 (0.81) HRH3L3MBTL3KDM4E
SCHEMBL2851223 0.81 HRH3 (0.76) HRH3L3MBTL3KDM4E
SCHEMBL2848351 0.81 HRH3 (0.60) HRH3ALDH1A1KMT2AKDM4EMEN1
SCHEMBL2844348 0.81 HRH3 (0.79) HRH3KDM4EITGB3ITGA2B
SCHEMBL2843193 0.77 HRH3 (0.60) HRH3ALDH1A1KDM4E
SCHEMBL2846242 0.77 HRH3 (0.62) HRH3L3MBTL3KDM4E
SCHEMBL2846184 0.77 HRH3 (0.62) HRH3KDM4E
SCHEMBL2846171 0.77 HRH3 (0.62) HRH3ALDH1A1KDM4E
SCHEMBL2848734 0.76 HRH3 (0.78) HRH3ALDH1A1KDM4E

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
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 486/4885KMT2A 521/4885

“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.