SCHEMBL5656406

SCHEMBL5656406

CC(C)Oc1ccc(C(=O)NCc2ccc(NC3=NCCN3)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 5/20 0.69
GPR65 Q8IYL9 1/20 0.69
PTGIR P43119 5/20 0.60
NR1H4 Q96RI1 1/20 0.56
POLB P06746 1/20 0.53
HPGD P15428 1/20 0.53
NAMPT P43490 1/20 0.53
WDR5 P61964 1/20 0.53
MAPT P10636 1/20 0.52
ADRA2B P18089 4/20 0.52
ADRA2C P18825 4/20 0.52
THRB P10828 1/20 0.47
F12 P00748 1/20 0.47
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
TP53 P04637 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47

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
SCHEMBL5655762 0.90 ADRA2A (0.56) ADRA2AGPR65PTGIRNR1H4POLB
SCHEMBL5656473 0.89 PTGIR (0.71) ADRA2AGPR65PTGIRNR1H4WDR5
SCHEMBL5656724 0.88 PTGIR (0.53) ADRA2AGPR65PTGIRPOLBHPGD
SCHEMBL5656401 0.87 PTGIR (0.61) ADRA2AGPR65PTGIRNR1H4NAMPT
SCHEMBL5657662 0.86 ADRA2A (0.55) ADRA2AGPR65PTGIRWDR5ADRA2B
SCHEMBL5655170 0.86 PTGIR (0.67) ADRA2AGPR65PTGIRNR1H4WDR5
SCHEMBL5658116 0.86 ADRA2A (0.51) ADRA2AGPR65PTGIRNR1H4POLB
SCHEMBL5658659 0.85 ADRA2A (0.63) ADRA2AGPR65PTGIRWDR5ADRA2B
SCHEMBL5657415 0.85 ADRA2A (0.59) ADRA2APTGIRNAMPTWDR5MAPT
SCHEMBL5658627 0.85 ADRA2A (0.59) ADRA2AGPR65PTGIRWDR5ADRA2B

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-7279498-B2 Substituted aryl amides as IP antagonists ROCHE PALO ALTO LLC (US) 2007-10-09 US disclosed
US-7279498-B2 Substituted aryl amides as IP antagonists ROCHE PALO ALTO LLC (US) 2007-10-09 US disclosed
US-7279498-B2 Substituted aryl amides as IP antagonists ROCHE PALO ALTO LLC (US) 2007-10-09 US disclosed
US-6998414-B2 Substituted arylamides as IP antagonists ROCHE PALO ALTO LLC (US) 2006-02-14 US disclosed
US-20060004075-A1 Substituted aryl amides as IP antagonists ROCHE PALO ALTO LLC 2006-01-05 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-20060004075-A1 Substituted aryl amides as IP antagonists INSR, INSRR, GIPR ADRA2A 90/4885GPR65 152/4885PTGIR 44/4885

“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.