SCHEMBL215918

SCHEMBL215918

CC(C)(C)OC(=O)N1CCC(Oc2cccc(N)c2N)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.66
GPR119 Q8TDV5 10/20 0.56
PDE4B Q07343 3/20 0.50
PDE4D Q08499 3/20 0.50
PDE4A P27815 2/20 0.50
PDE4C Q08493 2/20 0.50
CACNB4 O00305 1/20 0.45
CACNA1A O00555 1/20 0.45
CACNA1G O43497 1/20 0.45
CACNG3 O60359 1/20 0.45
CACNA1F O60840 1/20 0.45
CACNA1H O95180 1/20 0.45
CACNB3 P54284 1/20 0.45
CACNA2D1 P54289 1/20 0.45
CACNG7 P62955 1/20 0.45
CACNA1B Q00975 1/20 0.45
CACNA1D Q01668 1/20 0.45
CACNB1 Q02641 1/20 0.45
CACNG1 Q06432 1/20 0.45
CACNB2 Q08289 1/20 0.45

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
Hydrochloric Acid SCHEMBL214967 0.99 KDM1A (0.64) KDM1AGPR119PDE4BPDE4DPDE4A
SCHEMBL20567645 0.88 KDM1A (0.60) KDM1AGPR119PDE4BPDE4DPDE4A
SCHEMBL213097 0.84 KDM1A (0.56) KDM1AGPR119PDE4BPDE4DPDE4A
SCHEMBL3794778 0.83 KDM1A (0.54) KDM1AGPR119PDE4BPDE4DPDE4A
SCHEMBL6495125 0.82 KDM1A (0.54) KDM1AGPR119PDE4BPDE4DPDE4A
SCHEMBL3992131 0.82 KDM1A (0.44) KDM1AGPR119
SCHEMBL19402410 0.81 KDM1A (0.58) KDM1AGPR119PDE4BPDE4DPDE4A
SCHEMBL19839235 0.81 PDE4B (0.64) KDM1AGPR119PDE4BPDE4DPDE4A
SCHEMBL21765007 0.81 KDM1A (0.57) KDM1AGPR119PDE4BPDE4DPDE4A
SCHEMBL74564 0.81 KDM1A (0.57) KDM1AGPR119PDE4BPDE4DPDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 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-20100136136-A1 JAK-2 Modulators and Methods of Use JAK2, JAK1, JAK3 KDM1A 963/4885GPR119 2016/4885PDE4B 1998/4885

“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.