SCHEMBL4432756

SCHEMBL4432756

CN(C)CCN1CCCc2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc21

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 6/20 0.63
TRPV1 Q8NER1 5/20 0.53
MCHR1 Q99705 3/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
RORC P51449 1/20 0.49
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
TP53 P04637 1/20 0.49
GAA P10253 1/20 0.49
NFKB1 P19838 1/20 0.49
HTT P42858 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL4435521 0.90 CREBBP (0.60) CREBBPTRPV1MCHR1HDAC1HDAC6
SCHEMBL4435517 0.88 CREBBP (0.65) CREBBPTRPV1MCHR1HDAC1HDAC6
SCHEMBL4428774 0.87 CREBBP (0.64) CREBBPTRPV1MCHR1HDAC1HDAC6
SCHEMBL13930018 0.87 CREBBP (0.67) CREBBPTRPV1MCHR1HDAC1HDAC6
SCHEMBL4433775 0.85 CREBBP (0.62) CREBBPTRPV1MCHR1HDAC1HDAC6
SCHEMBL4429181 0.85 CREBBP (0.61) CREBBPTRPV1MCHR1HDAC1HDAC6
SCHEMBL4435905 0.84 CREBBP (0.60) CREBBPTRPV1MCHR1HDAC1HDAC6
SCHEMBL4430220 0.83 AVPR2 (0.61) CREBBPTRPV1MCHR1HDAC1HDAC6
SCHEMBL4434512 0.83 CREBBP (0.73) CREBBPTRPV1RORCRAB9ANPC1
SCHEMBL13929832 0.83 CREBBP (0.59) CREBBPTRPV1MCHR1HDAC1HDAC6

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 9 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
EP-2033953-A1 Vanilloid receptor modulators Glaxo Group Limited (GB) 2009-03-11 EP disclosed
EP-1480954-B1 VANILLOID RECEPTOR MODULATORS GLAXO GROUP LTD (GB) 2008-12-03 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 CREBBP 1594/4885TRPV1 1/4885MCHR1 266/4885

“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.