SCHEMBL6001093

SCHEMBL6001093

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

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 12/20 0.49
HTR2A P28223 6/20 0.42
HTR2C P28335 6/20 0.42
HTR2B P41595 3/20 0.42
BRD4 O60885 1/20 0.41
ADRB2 P07550 1/20 0.40
HTR1B P28222 1/20 0.40
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
HTR7 P34969 1/20 0.38
ADRA1A P35348 1/20 0.38
DRD3 P35462 1/20 0.38
HTR6 P50406 1/20 0.38
ROCK1 Q13464 1/20 0.37

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 0.88 TRPV1 (0.49) TRPV1HTR2AHTR2CHTR2BBRD4
SCHEMBL4864851 0.84 TRPV1 (0.52) TRPV1HTR2AHTR2CHTR2BBRD4
SCHEMBL6001839 0.82 ABCG2 (0.56) TRPV1HTR2AHTR2CHTR2BHTR1A
SCHEMBL4870857 0.82 TRPV1 (0.54) TRPV1HTR2AHTR2CHTR2BBRD4
SCHEMBL4728478 0.81 TRPV1 (0.52) TRPV1
SCHEMBL4871123 0.77 TRPV1 (0.48) TRPV1HTR2AHTR2CHTR2BBRD4
SCHEMBL12973478 0.75 TRPV1 (0.52) TRPV1HTR2AHTR2CHTR2BHTR1A
SCHEMBL14086114 0.74 TRPV1 (0.53) TRPV1HTR2AHTR2C
SCHEMBL4868546 0.74 TRPV1 (0.55) TRPV1HTR2AHTR2C
SCHEMBL8251107 0.73 TRPV1 (0.52) 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 TRPV1 5/4885HTR2A 561/4885HTR2C 664/4885

“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.