SCHEMBL4430220

SCHEMBL4430220

O=C(Nc1ccc2c(c1)N(CCN1CCOCC1)CCC2)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 6/20 0.61
CREBBP Q92793 3/20 0.60
TRPV1 Q8NER1 5/20 0.58
HPGD P15428 2/20 0.53
CD274 Q9NZQ7 1/20 0.53
ALOX15 P16050 1/20 0.51
HTT P42858 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
KDM4E B2RXH2 1/20 0.50
RECQL P46063 1/20 0.50
MCHR1 Q99705 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
SCHEMBL4435517 0.87 CREBBP (0.65) CREBBPTRPV1HTTHDAC1HDAC6
SCHEMBL13930018 0.86 CREBBP (0.67) CREBBPTRPV1HDAC1HDAC6MCHR1
SCHEMBL4428774 0.84 CREBBP (0.64) CREBBPTRPV1HDAC1HDAC6MCHR1
SCHEMBL4432756 0.83 CREBBP (0.63) CREBBPTRPV1HTTHDAC1HDAC6
SCHEMBL4433775 0.83 CREBBP (0.62) CREBBPTRPV1HDAC1HDAC6MCHR1
SCHEMBL4429181 0.82 CREBBP (0.61) CREBBPTRPV1HDAC1HDAC6MCHR1
SCHEMBL4435521 0.81 CREBBP (0.60) CREBBPTRPV1HDAC1HDAC6MCHR1
SCHEMBL4435905 0.81 CREBBP (0.60) CREBBPTRPV1HDAC1HDAC6MCHR1
SCHEMBL13929832 0.80 CREBBP (0.59) CREBBPTRPV1HDAC1HDAC6MCHR1
SCHEMBL4434512 0.80 CREBBP (0.73) CREBBPTRPV1HTT

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 AVPR2 9/4885CREBBP 1594/4885TRPV1 1/4885

“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.