SCHEMBL6001839

SCHEMBL6001839

CC(C)(C)c1ccc(Nc2nc(-c3ccccc3)nc3c2CCNC3)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 3/20 0.56
TRPV1 Q8NER1 5/20 0.54
PDE4B Q07343 6/20 0.47
HTR2C P28335 5/20 0.43
HTR2A P28223 4/20 0.43
HTR2B P41595 2/20 0.43
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42
HTR7 P34969 1/20 0.42
ADRA1A P35348 1/20 0.42
DRD3 P35462 1/20 0.42
HTR6 P50406 1/20 0.42
SLC2A1 P11166 1/20 0.41
SLC2A3 P11169 1/20 0.41

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
SCHEMBL6001816 0.82 TRPV1 (0.49) TRPV1HTR2CHTR2AHTR2BHTR1A
SCHEMBL6001093 0.82 TRPV1 (0.49) TRPV1HTR2CHTR2AHTR2BHTR1A
SCHEMBL4864851 0.80 TRPV1 (0.52) TRPV1HTR2CHTR2AHTR2BHTR1A
SCHEMBL4870857 0.77 TRPV1 (0.54) TRPV1HTR2CHTR2AHTR2BHTR1A
SCHEMBL4728478 0.76 TRPV1 (0.52) TRPV1
SCHEMBL6001835 0.75 TRPV1 (0.56) ABCG2TRPV1PDE4B
SCHEMBL10185784 0.75 AURKA (0.58) HTR2CHTR2AHTR2B
SCHEMBL12426177 0.74 HTR2C (0.55) TRPV1PDE4BHTR2CHTR2AHTR2B
SCHEMBL4871123 0.72 TRPV1 (0.48) TRPV1HTR2CHTR2AHTR2BHTR1A
SCHEMBL5799780 0.71 TRPV1 (0.69) TRPV1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060128710-A1 Antagonists to the vanilloid receptor subtype 1 (VR1) and uses thereof ABBOTT LABORATORIES 2006-06-15 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 (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-20060128710-A1 Antagonists to the vanilloid receptor subtype 1 (VR1) and uses thereof OPRL1, AVPR1A, AVPR2 ABCG2 359/4885TRPV1 5/4885PDE4B 860/4885

“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.