SCHEMBL12877926

SCHEMBL12877926

O=C(OCc1ccccc1)N1CCC2(CC1)CNc1c(Cl)cccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
HDAC8 Q9BY41 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
CYP2C19 P33261 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
OPRK1 P41145 3/20 0.46
OPRD1 P41143 1/20 0.46
XIAP P98170 1/20 0.44
BIRC2 Q13490 1/20 0.44
KDM1A O60341 2/20 0.43
GRIN2B Q13224 2/20 0.43
HTR1A P08908 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
HTR2C P28335 1/20 0.43
SLC6A3 Q01959 1/20 0.43

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
SCHEMBL12878024 0.87 HDAC1 (0.48) HDAC1HDAC6HDAC8SMN1; SMN2NPC1
SCHEMBL20955138 0.84 HDAC1 (0.46) HDAC1HDAC6HDAC8SMN1; SMN2NPC1
SCHEMBL1196006 0.83 MEN1 (0.51) HDAC1HDAC6HDAC8SMN1; SMN2NPC1
SCHEMBL1196005 0.83 MEN1 (0.51) HDAC1HDAC6HDAC8SMN1; SMN2NPC1
SCHEMBL20955355 0.82 OPRK1 (0.44) HDAC1HDAC6HDAC8SMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL8582025 0.82 MEN1 (0.50) HDAC1HDAC6HDAC8SMN1; SMN2NPC1
SCHEMBL16782756 0.81 PTGDR2 (0.45) HDAC1HDAC6HDAC8SMN1; SMN2NPC1
SCHEMBL1196281 0.80 XIAP (0.53) HDAC1HDAC6HDAC8SMN1; SMN2NPC1
SCHEMBL3728320 0.80 XIAP (0.51) HDAC1HDAC6HDAC8SMN1; SMN2NPC1
SCHEMBL1196280 0.80 XIAP (0.53) HDAC1HDAC6HDAC8SMN1; SMN2NPC1

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 7 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-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-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
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 1079/4885HDAC6 1440/4885HDAC8 3348/4885
US-20110034499-A1 SPIROINDOLINES AS MODULATORS OF CHEMOKINE RECEPTORS CCR2, CCR10, CXCR2 HDAC1 1079/4885HDAC6 1440/4885HDAC8 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.