SCHEMBL2800748

SCHEMBL2800748

O=C(C1CC12CCN(c1ccc(C(F)(F)F)cn1)CC2)N1CCN(C2CCCCC2)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 15/20 0.63
KCNH2 Q12809 1/20 0.60
KDM4E B2RXH2 2/20 0.49
ABL1 P00519 1/20 0.49
LMNA P02545 1/20 0.49
DPP4 P27487 1/20 0.48
DPP8 Q6V1X1 1/20 0.48
DPP7 Q9UHL4 1/20 0.48
ADAM10 O14672 1/20 0.47
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47
MMP3 P08254 1/20 0.47
MMP7 P09237 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
MMP12 P39900 1/20 0.47
MMP14 P50281 1/20 0.47
ADAM17 P78536 1/20 0.47
ADAM9 Q13443 1/20 0.47
ADAM33 Q9BZ11 1/20 0.47

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
SCHEMBL27728031 0.81 KDM4E (0.56) HRH3KDM4EABL1LMNADPP4
SCHEMBL3860897 0.80 KDM4E (0.65) HRH3KDM4EABL1LMNADPP4
SCHEMBL2798237 0.80 HRH3 (0.67) HRH3KCNH2KDM4E
SCHEMBL3967944 0.79 KDM4E (0.58) HRH3KDM4EABL1LMNADPP4
SCHEMBL3777238 0.78 SMN1; SMN2 (0.53) HRH3KDM4EABL1LMNADPP4
SCHEMBL4936071 0.78 KDM4E (0.51) HRH3KDM4EABL1LMNADPP4
SCHEMBL2797048 0.77 HRH3 (1.00) HRH3KCNH2KDM4E
SCHEMBL3773673 0.77 SMN1; SMN2 (0.54) HRH3KDM4EABL1LMNADPP4
SCHEMBL2798033 0.77 HRH3 (1.00) HRH3KCNH2
SCHEMBL1778495 0.76 KDM4E (0.57) HRH3KDM4EABL1LMNADPP4

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
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 1140/4885KDM4E 1627/4885

“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.