SCHEMBL5657774

SCHEMBL5657774

CCOC(=O)N1CCC(COc2ccc(C(=O)NCc3ccc(NC4=NCCN4)cc3)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.52
PTGIR P43119 4/20 0.48
LMNA P02545 4/20 0.43
MAPK1 P28482 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HTT P42858 1/20 0.43
MAPT P10636 4/20 0.42
ADRA2A P08913 2/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
GRIN2B Q13224 1/20 0.42
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
MLLT1 Q03111 1/20 0.41
GPR65 Q8IYL9 1/20 0.41
TSHR P16473 1/20 0.41
EPHX2 P34913 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
SCHEMBL5657965 0.91 HDAC1 (0.49) HDAC1PTGIRLMNASMN1; SMN2MAPT
SCHEMBL5655767 0.90 PTGIR (0.48) HDAC1PTGIRLMNAMAPK1L3MBTL1
SCHEMBL5658104 0.89 PTGIR (0.48) HDAC1PTGIRLMNASMN1; SMN2ADRA2A
SCHEMBL5655751 0.89 PTGIR (0.49) HDAC1PTGIRADRA2AADRA2BADRA2C
SCHEMBL5659545 0.89 PTGIR (0.52) HDAC1PTGIRLMNAADRA2AADRA2B
SCHEMBL5654933 0.86 PTGIR (0.49) HDAC1PTGIRLMNAADRA2AADRA2B
SCHEMBL5656714 0.86 ADAM17 (0.51) HDAC1PTGIRADRA2AADRA2BADRA2C
SCHEMBL5656401 0.85 PTGIR (0.61) PTGIRLMNAMAPK1SMN1; SMN2MAPT
SCHEMBL5657368 0.85 SMN1; SMN2 (0.54) HDAC1PTGIRLMNASMN1; SMN2HTT
SCHEMBL5657983 0.85 PTGIR (0.48) HDAC1PTGIRADRA2AADRA2BADRA2C

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 HDAC1 592/4885PTGIR 44/4885LMNA 4822/4885

“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.