SCHEMBL1195682

SCHEMBL1195682

CN1CC2(CCN(C(=O)OCc3ccccc3)CC2)c2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.63
HDAC8 Q9BY41 3/20 0.63
HDAC6 Q9UBN7 3/20 0.63
P2RY1 P47900 1/20 0.55
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
XIAP P98170 1/20 0.51
BIRC2 Q13490 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
TACR1 P25103 2/20 0.50
NPC1L1 Q9UHC9 1/20 0.49
CYP2C19 P33261 1/20 0.48
SIGMAR1 Q99720 3/20 0.47
SLC18A3 Q16572 1/20 0.47
TMEM97 Q5BJF2 2/20 0.47
HTR1A P08908 1/20 0.47
ADRA2A P08913 1/20 0.47

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
SCHEMBL1195680 1.00 HDAC1 (0.63) HDAC1HDAC8HDAC6P2RY1MEN1
SCHEMBL13228096 0.87 HDAC1 (0.68) HDAC1HDAC8HDAC6P2RY1MEN1
SCHEMBL4974614 0.87 HDAC1 (0.50) HDAC1HDAC8HDAC6P2RY1MEN1
SCHEMBL2625791 0.87 HDAC1 (0.50) HDAC1HDAC8HDAC6P2RY1MEN1
SCHEMBL14530334 0.86 HDAC1 (0.61) HDAC1HDAC8HDAC6P2RY1MEN1
SCHEMBL14624360 0.86 HDAC1 (0.59) HDAC1HDAC8HDAC6P2RY1MEN1
SCHEMBL12049087 0.86 HDAC1 (0.59) HDAC1HDAC8HDAC6P2RY1MEN1
SCHEMBL14530335 0.86 HDAC1 (0.59) HDAC1HDAC8HDAC6P2RY1MEN1
SCHEMBL20954985 0.86 HDAC1 (0.67) HDAC1HDAC8HDAC6P2RY1MEN1
SCHEMBL1587816 0.86 HDAC1 (0.61) HDAC1HDAC8HDAC6P2RY1MEN1

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-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-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 HDAC1 1079/4885HDAC8 3348/4885HDAC6 1440/4885
US-20110034499-A1 SPIROINDOLINES AS MODULATORS OF CHEMOKINE RECEPTORS CCR2, CCR10, CXCR2 HDAC1 1079/4885HDAC8 3348/4885HDAC6 1440/4885

“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.