SCHEMBL4428128

SCHEMBL4428128

CC(=O)OCCN1CCCc2cc(Br)c(NC(=O)c3ccc(-c4ccccc4)cc3)cc21

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 9/20 0.46
HDAC6 Q9UBN7 7/20 0.46
POLB P06746 1/20 0.45
MAPK1 P28482 1/20 0.45
CREBBP Q92793 1/20 0.43
MCHR1 Q99705 2/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
CYP1A2 P05177 1/20 0.39
PPARG P37231 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC2 Q92769 1/20 0.38

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
SCHEMBL13930143 0.89 POLB (0.45) HDAC1HDAC6POLBMAPK1CREBBP
SCHEMBL4429181 0.84 CREBBP (0.61) HDAC1HDAC6CREBBPMCHR1
SCHEMBL4428774 0.76 CREBBP (0.64) HDAC1HDAC6CREBBPMCHR1
SCHEMBL4435905 0.73 CREBBP (0.60) HDAC1HDAC6CREBBPMCHR1
SCHEMBL11326320 0.71 ALDH1A1 (0.58)
SCHEMBL4433775 0.70 CREBBP (0.62) HDAC1HDAC6CREBBPMCHR1
SCHEMBL4435517 0.70 CREBBP (0.65) HDAC1HDAC6CREBBPMCHR1NPC1
SCHEMBL13930018 0.69 CREBBP (0.67) HDAC1HDAC6CREBBPMCHR1
SCHEMBL4432756 0.69 CREBBP (0.63) HDAC1HDAC6CREBBPMCHR1NPC1
SCHEMBL6717277 0.69 CHRM2 (0.56)

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-7538121-B2 Vanilloid receptor modulators GLAXO GROUP LIMITED (GB) 2009-05-26 US disclosed
US-7538121-B2 Vanilloid receptor modulators GLAXO GROUP LIMITED (GB) 2009-05-26 US disclosed
US-7538121-B2 Vanilloid receptor modulators GLAXO GROUP LIMITED (GB) 2009-05-26 US disclosed
EP-2033953-A1 Vanilloid receptor modulators Glaxo Group Limited (GB) 2009-03-11 EP disclosed
US-20060142333-A1 Vanilloid receptor modulators MACDONALD GREGOR J 2006-06-29 US disclosed
EP-1480954-A1 VANILLOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2004-12-01 EP disclosed
WO-2003068749-A1 VANILLOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2003-08-21 WO 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-20060142333-A1 Vanilloid receptor modulators TRPV1, NPSR1, TRPV3 HDAC1 2331/4885HDAC6 2067/4885POLB 4767/4885

“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.