SCHEMBL12877871

SCHEMBL12877871

CC(C)(C)OC(=O)N1CCC(C#N)(c2ccccc2F)CC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 1/20 0.44
▸ GPR119 Q8TDV5 4/20 0.43
▸ TSHR P16473 2/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ JAK2 O60674 4/20 0.42
▸ JAK1 P23458 4/20 0.42
▸ TACR1 P25103 1/20 0.42
▸ HDAC1 Q13547 2/20 0.42
▸ HDAC8 Q9BY41 2/20 0.42
▸ HDAC6 Q9UBN7 2/20 0.42
▸ KDM1A O60341 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 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
SCHEMBL25388886 0.92 GPR119 (0.43) PDK2GPR119TSHRALOX15ATM
SCHEMBL11919569 0.91 GPR119 (0.41) PDK2GPR119TSHRALOX15ATM
SCHEMBL23660731 0.89 GPR119 (0.44) GPR119TSHRALOX15ATMJAK2
SCHEMBL7710592 0.88 ADRA1D (0.46) PDK2GPR119TSHRALOX15ATM
SCHEMBL2468693 0.87 GPR119 (0.43) GPR119JAK2JAK1HDAC1
SCHEMBL23660733 0.87 ADRA1D (0.48) PDK2GPR119TSHRALOX15ATM
SCHEMBL30018046 0.87 ADRA1D (0.48) PDK2GPR119TSHRALOX15ATM
SCHEMBL21855700 0.87 PDK2 (0.43) PDK2GPR119TSHRALOX15ATM
SCHEMBL7704701 0.87 GPR119 (0.47) PDK2GPR119TSHRALOX15ATM
SCHEMBL4362609 0.87 GPR119 (0.44) PDK2GPR119TSHRALOX15ATM

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-8431590-B2 Spiroindolines as modulators of chemokine receptors GLAXO GROUP LIMITED (GB) 2013-04-30 — — US disclosed
US-8431590-B2 Spiroindolines as modulators of chemokine receptors GLAXO GROUP LIMITED (GB) 2013-04-30 — — US disclosed
US-20110034499-A1 SPIROINDOLINES AS MODULATORS OF CHEMOKINE RECEPTORS GLAXO GROUP LIMITED (GB) 2011-02-10 — — US disclosed
US-20110034499-A1 SPIROINDOLINES AS MODULATORS OF CHEMOKINE RECEPTORS GLAXO GROUP LIMITED (GB) 2011-02-10 — — US disclosed
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 (2 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 PDK2 1501/4885GPR119 159/4885TSHR 599/4885
US-20110034499-A1 SPIROINDOLINES AS MODULATORS OF CHEMOKINE RECEPTORS CCR2, CCR10, CXCR2 PDK2 1501/4885GPR119 159/4885TSHR 599/4885

“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.

Send feedback