SCHEMBL3531595

SCHEMBL3531595

COc1ccc(NC(=O)N2CCc3c(ccc(OC)c3OCc3ccccc3)C2)cc1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 5/20 0.68
NPC1 O15118 3/20 0.59
RAB9A P51151 3/20 0.59
TAS1R3 Q7RTX0 2/20 0.53
TAS1R1 Q7RTX1 2/20 0.53
TAS1R2 Q8TE23 2/20 0.53
THRB P10828 1/20 0.53
TRPV1 Q8NER1 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
GPR183 P32249 1/20 0.48
PDGFRB P09619 1/20 0.48
FAAH O00519 1/20 0.47
AGTR1 P30556 2/20 0.47
MAPT P10636 1/20 0.46
NAMPT P43490 1/20 0.46

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
SCHEMBL11747939 0.83 AGTR2 (0.53) AGTR2NPC1KMT2AGPR183AGTR1
SCHEMBL23315326 0.83 AGTR2 (0.53) AGTR2AGTR1
SCHEMBL23315583 0.81 NPC1 (0.62) AGTR2NPC1KMT2AGPR183AGTR1
SCHEMBL8964453 0.81 AGTR2 (1.00) AGTR2AGTR1
SCHEMBL8964079 0.81 AGTR2 (1.00) AGTR2AGTR1
SCHEMBL21796225 0.79 AGTR2 (0.66) AGTR2AGTR1
SCHEMBL16039389 0.79 AGTR2 (0.52) AGTR2GPR183AGTR1
SCHEMBL23315204 0.77 AGTR2 (0.51) AGTR2GPR183AGTR1
SCHEMBL17607347 0.77 ACACB (0.49) AGTR2NPC1KMT2AGPR183AGTR1
SCHEMBL5132181 0.76 AGTR2 (0.68) AGTR2NPC1MEN1KMT2AAGTR1

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-8551950-B2 Method of treatment or prophylaxis of inflammatory pain SPINIFEX PHARMACEUTICALS PTY LTD (AU) 2013-10-08 US disclosed
US-20100292159-A1 METHOD OF TREATMENT OR PROPHYLAXIS OF INFLAMMATORY PAIN UNIVERSITY OF QUEENSLAND (AU) 2010-11-18 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-20100292159-A1 METHOD OF TREATMENT OR PROPHYLAXIS OF INFLAMMATORY PAIN AGTR2, AGTR1, BDKRB2 AGTR2 1/4885NPC1 4122/4885RAB9A 3442/4885

“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.