SCHEMBL5658518

SCHEMBL5658518

O=C(c1ccc(F)cc1)N(Cc1ccc(NC2=NCCN2)cc1)C1CC1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.58
ADRA2A P08913 7/20 0.53
ADRA2B P18089 7/20 0.53
ADRA2C P18825 7/20 0.53
AGER Q15109 2/20 0.52
MTNR1A P48039 1/20 0.52
PTGIR P43119 3/20 0.46
HSD17B10 Q99714 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
HDAC8 Q9BY41 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
HDAC3 O15379 1/20 0.44
HCRTR1 O43613 1/20 0.42
F12 P00748 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
AOC3 Q16853 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
SCHEMBL5658201 0.87 PTGIR (0.65) ADRA2AADRA2BADRA2CPTGIRALDH1A1
SCHEMBL5656077 0.84 ADRA2A (0.56) NSD2ADRA2AADRA2BADRA2CPTGIR
SCHEMBL5656120 0.83 ADRA2A (0.55) ADRA2AADRA2BADRA2CPTGIRAOC3
SCHEMBL6159397 0.77 ADRA2A (0.59) ADRA2AADRA2BADRA2CPTGIRAOC3
SCHEMBL5656503 0.77 ADRA2A (0.59) ADRA2AADRA2BADRA2CPTGIRLMNA
SCHEMBL4689733 0.75 ADRA2A (0.85) ADRA2AADRA2BADRA2CPTGIR
SCHEMBL6160078 0.75 ADRA2A (0.56) ADRA2AADRA2BADRA2CPTGIRAOC3
SCHEMBL13024513 0.75 ADRA2A (0.79) ADRA2AADRA2BADRA2CPTGIR
Hydrochloric Acid SCHEMBL6158038 0.74 ADRA2A (0.55) ADRA2AADRA2BADRA2CPTGIRAOC3
SCHEMBL5657963 0.74 ADRA2A (0.55) ADRA2AADRA2BADRA2CPTGIRLMNA

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 NSD2 3223/4885ADRA2A 90/4885ADRA2B 82/4885

“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.