SCHEMBL13360857

SCHEMBL13360857

C=C(C)OC(=O)N1C(=O)C2(CCN(C(=O)OC(C)(C)C)CC2)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.43
HDAC1 Q13547 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
TSHR P16473 2/20 0.40
ALOX15 P16050 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
USP30 Q70CQ3 1/20 0.39
AVPR1A P37288 2/20 0.39
ATM Q13315 1/20 0.38
DTYMK P23919 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
PDK2 Q15119 1/20 0.38
CYP11B2 P19099 1/20 0.38
NR1H2 P55055 1/20 0.37
BCHE P06276 1/20 0.37
PARP1 P09874 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
SCHEMBL3237114 0.90 KDM1A (0.49) KDM1AHDAC1HDAC8HDAC6TSHR
SCHEMBL3237107 0.90 KDM1A (0.49) KDM1AHDAC1HDAC8HDAC6TSHR
SCHEMBL21912851 0.82 BCHE (0.50) KDM1AHDAC1HDAC8HDAC6USP30
SCHEMBL4979947 0.81 OPRK1 (0.49) KDM1AHDAC1HDAC8HDAC6TSHR
SCHEMBL4979950 0.81 OPRK1 (0.49) KDM1AHDAC1HDAC8HDAC6TSHR
SCHEMBL13360856 0.80 KDM1A (0.48) KDM1AHDAC1HDAC8HDAC6OPRK1
SCHEMBL21912451 0.80 BCHE (0.48) KDM1AHDAC1HDAC8HDAC6OPRK1
SCHEMBL30681524 0.80 BCHE (0.48) KDM1AHDAC1HDAC8HDAC6OPRK1
SCHEMBL10253956 0.79 OPRL1 (0.48) KDM1AHDAC1HDAC8HDAC6OPRD1
SCHEMBL4792337 0.78 KDM1A (0.47) KDM1AHDAC1HDAC8HDAC6TSHR

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 4359/4885HDAC1 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.