SCHEMBL5657551

SCHEMBL5657551

CCN1CCC(Oc2ccc(C(=O)NCc3ccc(NC4=NCCN4)cc3)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 3/20 0.48
RAB9A P51151 3/20 0.46
NPC1 O15118 1/20 0.46
KMT2A Q03164 5/20 0.46
MEN1 O00255 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL5658104 0.90 PTGIR (0.48) PTGIRKMT2AMEN1ADRA2AADRA2B
SCHEMBL5655767 0.89 PTGIR (0.48) PTGIRRAB9ANPC1KMT2AADRA2A
SCHEMBL5659576 0.88 PTGIR (0.51) PTGIRADRA2AADRA2BADRA2C
SCHEMBL5659624 0.87 PTGIR (0.50) PTGIRADRA2AADRA2BADRA2C
SCHEMBL5660483 0.87 PTGIR (0.50) PTGIRADRA2AADRA2BADRA2C
SCHEMBL5657712 0.86 PTGIR (0.48) PTGIRADRA2AADRA2BADRA2C
SCHEMBL5659486 0.83 ADRA2A (0.57) PTGIRRAB9ANPC1KMT2AMEN1
SCHEMBL5656401 0.81 PTGIR (0.61) PTGIRKMT2AMEN1ADRA2AADRA2B
SCHEMBL5656473 0.81 PTGIR (0.71) PTGIRRAB9ANPC1KMT2AMEN1
SCHEMBL5655751 0.81 PTGIR (0.49) PTGIRADRA2AADRA2BADRA2C

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 PTGIR 44/4885RAB9A 2168/4885NPC1 2964/4885

“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.