SCHEMBL13360856

SCHEMBL13360856

BN1CCC2(CC1)C(=O)N(C(=O)OC(C)(C)C)c1ccccc12

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.48
BCHE P06276 1/20 0.44
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
OPRL1 P41146 14/20 0.40
EGLN1 Q9GZT9 1/20 0.40
CASP1 P29466 1/20 0.39
OPRM1 P35372 2/20 0.37
OPRK1 P41145 2/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL21912851 0.90 BCHE (0.50) KDM1ABCHEPDE4APDE4BPDE4C
SCHEMBL3237107 0.89 KDM1A (0.49) KDM1ABCHEPDE4APDE4BPDE4C
SCHEMBL3237114 0.89 KDM1A (0.49) KDM1ABCHEPDE4APDE4BPDE4C
SCHEMBL30681524 0.88 BCHE (0.48) KDM1ABCHEPDE4APDE4BPDE4C
SCHEMBL21912451 0.88 BCHE (0.48) KDM1ABCHEPDE4APDE4BPDE4C
SCHEMBL4775639 0.84 BCHE (0.45) KDM1ABCHEPDE4APDE4BPDE4C
SCHEMBL30901783 0.81 BCHE (0.47) KDM1ABCHEPDE4APDE4BPDE4C
SCHEMBL27212944 0.81 BCHE (0.42) KDM1ABCHEPDE4APDE4BPDE4C
SCHEMBL6745177 0.81 KDM1A (0.43) KDM1ABCHEPDE4APDE4BPDE4C
SCHEMBL13360857 0.80 KDM1A (0.43) KDM1ABCHEOPRK1HDAC1HDAC8

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-7723350-B2 Spiroindolines as modulators of chemokine receptors GLAXO GROUP LIMITED (GB) 2010-05-25 US disclosed
US-20080318990-A1 SPIROINDOLINES AS MODULATORS OF CHEMOKINE RECEPTORS GLAXO GROUP LIMITED (GB) 2008-12-25 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-20080318990-A1 SPIROINDOLINES AS MODULATORS OF CHEMOKINE RECEPTORS CCR2, CCR10, CXCR2 KDM1A 4359/4885BCHE 4809/4885PDE4A 834/4885

“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.