SCHEMBL4435822

SCHEMBL4435822

CN(C)C(=O)CCc1cccc(F)c1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.57
RIPK1 Q13546 1/20 0.48
KMT2A Q03164 2/20 0.47
FFAR1 O14842 2/20 0.47
MEN1 O00255 1/20 0.47
F10 P00742 1/20 0.46
CASP3 P42574 1/20 0.45
CASP7 P55210 1/20 0.45
ADRA2C P18825 1/20 0.44
HRH2 P25021 1/20 0.44
HTR2B P41595 1/20 0.44
SLC6A3 Q01959 1/20 0.44
SIGMAR1 Q99720 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
SCHEMBL16071011 0.84 TAAR1 (0.51) TAAR1RIPK1KMT2AFFAR1MEN1
SCHEMBL24732318 0.81 TAAR1 (0.50) TAAR1KMT2AFFAR1MEN1F10
SCHEMBL16416541 0.81 DRD2 (0.50) TAAR1KMT2AFFAR1
SCHEMBL2290 0.81 ALDH1A1 (0.60) TAAR1FFAR1CASP3CASP7SLC6A3
SCHEMBL7340106 0.80 TAAR1 (0.57) TAAR1FFAR1CASP3CASP7SLC6A3
SCHEMBL8241364 0.80 TAAR1 (0.57) TAAR1RIPK1KMT2AFFAR1SIGMAR1
SCHEMBL4631915 0.80 MAOA (0.50) KMT2AFFAR1MEN1F10SIGMAR1
SCHEMBL31265924 0.80 TAAR1 (0.57) TAAR1RIPK1KMT2AFFAR1MEN1
SCHEMBL28343168 0.80 TAAR1 (0.57) TAAR1RIPK1KMT2AFFAR1MEN1
SCHEMBL4425976 0.79 TAAR1 (0.52) TAAR1KMT2AFFAR1

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 5 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
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 TAAR1 190/4885RIPK1 4510/4885KMT2A 3992/4885

“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.