SCHEMBL12878024

SCHEMBL12878024

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.48
HDAC6 Q9UBN7 3/20 0.48
HDAC8 Q9BY41 1/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
OPRK1 P41145 4/20 0.45
HTR1A P08908 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
HTR2C P28335 1/20 0.45
SLC6A3 Q01959 1/20 0.45
HDAC3 O15379 2/20 0.44
HDAC2 Q92769 2/20 0.44
OPRD1 P41143 1/20 0.44
CYP2C19 P33261 1/20 0.44
KDM1A O60341 2/20 0.43
GRIN2B Q13224 2/20 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
SCHEMBL12877926 0.87 HDAC1 (0.48) HDAC1HDAC6HDAC8MEN1KMT2A
SCHEMBL3167926 0.84 MEN1 (0.47) HDAC1HDAC6HDAC8MEN1KMT2A
SCHEMBL20955138 0.84 HDAC1 (0.46) HDAC1HDAC6HDAC8MEN1KMT2A
SCHEMBL1196006 0.83 MEN1 (0.51) HDAC1HDAC6HDAC8MEN1KMT2A
SCHEMBL1196005 0.83 MEN1 (0.51) HDAC1HDAC6HDAC8MEN1KMT2A
Hydrochloric Acid SCHEMBL8582025 0.82 MEN1 (0.50) HDAC1HDAC6HDAC8MEN1KMT2A
SCHEMBL3156202 0.80 HDAC1 (0.46) HDAC1HDAC6HDAC8MEN1KMT2A
SCHEMBL15676882 0.80 HDAC1 (0.46) HDAC1HDAC6HDAC8MEN1KMT2A
SCHEMBL20955197 0.80 MEN1 (0.47) HDAC1HDAC6HDAC8MEN1KMT2A
SCHEMBL4975981 0.79 MEN1 (0.45) HDAC1HDAC6HDAC8MEN1KMT2A

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 1079/4885HDAC6 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.