SCHEMBL3237114

SCHEMBL3237114

CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)N(C(=O)OC(C)(C)C)c1ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.49
HDAC1 Q13547 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
TSHR P16473 2/20 0.45
ALOX15 P16050 1/20 0.45
BCHE P06276 1/20 0.45
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
USP30 Q70CQ3 1/20 0.43
ATM Q13315 1/20 0.43
GPR119 Q8TDV5 1/20 0.43
DTYMK P23919 1/20 0.42
PDK2 Q15119 1/20 0.42
CYP11B2 P19099 1/20 0.42
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
EGLN1 Q9GZT9 1/20 0.40

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
SCHEMBL3237107 1.00 KDM1A (0.49) KDM1AHDAC1HDAC8HDAC6TSHR
SCHEMBL21912851 0.91 BCHE (0.50) KDM1AHDAC1HDAC8HDAC6BCHE
SCHEMBL13360857 0.90 KDM1A (0.43) KDM1AHDAC1HDAC8HDAC6TSHR
SCHEMBL13360856 0.89 KDM1A (0.48) KDM1AHDAC1HDAC8HDAC6BCHE
SCHEMBL30681524 0.89 BCHE (0.48) KDM1AHDAC1HDAC8HDAC6BCHE
SCHEMBL21912451 0.89 BCHE (0.48) KDM1AHDAC1HDAC8HDAC6BCHE
SCHEMBL4979950 0.88 OPRK1 (0.49) KDM1AHDAC1HDAC8HDAC6TSHR
SCHEMBL4979947 0.88 OPRK1 (0.49) KDM1AHDAC1HDAC8HDAC6TSHR
SCHEMBL6745177 0.86 KDM1A (0.43) KDM1AHDAC1HDAC8HDAC6TSHR
SCHEMBL10253956 0.86 OPRL1 (0.48) KDM1AHDAC1HDAC8HDAC6OPRD1

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 4 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
EP-2166848-A1 SPIROINDOLINES AS MODULATORS OF CHEMOKINE RECEPTORS Glaxo Group Limited (GB) 2010-03-31 EP disclosed
US-20080318990-A1 SPIROINDOLINES AS MODULATORS OF CHEMOKINE RECEPTORS GLAXO GROUP LIMITED (GB) 2008-12-25 US disclosed
WO-2008157741-A1 SPIROINDOLINES AS MODULATORS OF CHEMOKINE RECEPTORS GLAXO GROUP LIMITED (GB) 2008-12-24 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-20080318990-A1 SPIROINDOLINES AS MODULATORS OF CHEMOKINE RECEPTORS CCR2, CCR10, CXCR2 KDM1A 4359/4885HDAC1 1079/4885HDAC8 3348/4885

“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.