SCHEMBL2798554

SCHEMBL2798554

COc1ccc(N2CCC3(CC2)CC3C(=O)N2CCN(C3CCC3)CC2)cc1

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 17/20 0.70
KCNH2 Q12809 1/20 0.58
ALDH1A1 P00352 1/20 0.53
MMP2 P08253 1/20 0.48
MMP3 P08254 1/20 0.48
MMP9 P14780 1/20 0.48
MMP8 P22894 1/20 0.48
MMP13 P45452 1/20 0.48

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
SCHEMBL2800051 0.88 HRH3 (0.72) HRH3KCNH2ALDH1A1MMP2MMP3
SCHEMBL2798202 0.88 HRH3 (0.74) HRH3KCNH2
SCHEMBL2799409 0.88 HRH3 (0.67) HRH3KCNH2
SCHEMBL2797749 0.84 HRH3 (0.69) HRH3KCNH2
SCHEMBL2797048 0.81 HRH3 (1.00) HRH3KCNH2
SCHEMBL2794963 0.79 HRH3 (0.58) HRH3KCNH2
SCHEMBL2800758 0.76 HRH3 (0.69) HRH3KCNH2
SCHEMBL2798245 0.76 HRH3 (0.97) HRH3KCNH2
SCHEMBL2799780 0.75 HRH3 (1.00) HRH3KCNH2
SCHEMBL2796990 0.75 HRH3 (1.00) HRH3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100168105-A1 Spirocyclopropyl Piperidine Derivatives ASTRAZENECA AB (SE) 2010-07-01 US claimed
EP-2162452-A1 SPIROCYCLOPROPYL PIPERIDINE DERIVATIVES AstraZeneca AB (SE) 2010-03-17 EP claimed
WO-2008147314-A1 SPIROCYCLOPROPYL PIPERIDINE DERIVATIVES ASTRAZENECA AB (SE) 2008-12-04 WO claimed
US-20100168105-A1 Spirocyclopropyl Piperidine Derivatives ASTRAZENECA AB (SE) 2010-07-01 US disclosed
US-20100168105-A1 Spirocyclopropyl Piperidine Derivatives ASTRAZENECA AB (SE) 2010-07-01 US disclosed
US-20100168105-A1 Spirocyclopropyl Piperidine Derivatives ASTRAZENECA AB (SE) 2010-07-01 US disclosed
EP-2162452-A1 SPIROCYCLOPROPYL PIPERIDINE DERIVATIVES AstraZeneca AB (SE) 2010-03-17 EP disclosed
WO-2008147314-A1 SPIROCYCLOPROPYL PIPERIDINE DERIVATIVES ASTRAZENECA AB (SE) 2008-12-04 WO disclosed
WO-2008147314-A1 SPIROCYCLOPROPYL PIPERIDINE DERIVATIVES ASTRAZENECA AB (SE) 2008-12-04 WO 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-20100168105-A1 Spirocyclopropyl Piperidine Derivatives HRH3, HRH2, HRH4 HRH3 1/4885KCNH2 1140/4885ALDH1A1 685/4885

“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.