SCHEMBL3533100

SCHEMBL3533100

CC(C)(C)OC(=O)N1CCN(c2ncccc2CNC(=S)Nc2cccc(Cl)c2Cl)CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 2/20 0.48
TRPA1 O75762 6/20 0.45
TRPV1 Q8NER1 3/20 0.44
POLB P06746 1/20 0.44
ACHE P22303 2/20 0.44
MAPK8 P45983 1/20 0.44
KCNH2 Q12809 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.42
KDR P35968 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 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
SCHEMBL3288493 0.86 RBP4 (0.41) DGAT2TRPA1TRPV1POLBACHE
SCHEMBL3533104 0.83 TRPA1 (0.43) DGAT2TRPA1TRPV1POLBACHE
SCHEMBL3288655 0.82 P2RX7 (0.54) MEN1KMT2A
SCHEMBL3290531 0.82 P2RX7 (0.54) MEN1KMT2A
SCHEMBL3288758 0.82 P2RX7 (0.53) MEN1KMT2A
SCHEMBL2421627 0.77 TRPA1 (0.68) TRPA1TRPV1POLBKCNH2TRPM8
SCHEMBL3535170 0.77 P2RX7 (0.53)
SCHEMBL3292797 0.76 MEN1 (0.46) MEN1KMT2A
SCHEMBL31652019 0.76 POLB (0.55) TRPA1TRPV1POLBACHE
SCHEMBL11366665 0.75 POLB (0.54) TRPA1TRPV1POLBACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7704997-B1 Amino-tetrazole analogues and methods of use ABBOTT LABORATORIES (US) 2010-04-27 US disclosed
US-20060052374-A1 Amino-tetrazole analogues and methods of use ABBVIE INC. 2006-03-09 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-20060052374-A1 Amino-tetrazole analogues and methods of use P2RX7, P2RX2, P2RX3 DGAT2 4589/4885TRPA1 109/4885TRPV1 74/4885

“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.