SCHEMBL6804909

SCHEMBL6804909

CCN(CC)C(=O)C(C)(C)c1ccc2[nH]c(-c3cc(C)cs3)c(CCN)c2c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 11/20 0.50
TLR9 Q9NR96 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
HTR1D P28221 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTR7 P34969 1/20 0.35
HTR3A P46098 1/20 0.35
HTR6 P50406 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL8569672 0.85 GNRHR (0.66) GNRHR
SCHEMBL6808874 0.78 GNRHR (0.44) GNRHRCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6808881 0.78 GNRHR (0.44) GNRHRCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL14424655 0.73 GNRHR (0.69) GNRHR
SCHEMBL7855390 0.70 GNRHR (0.57) GNRHR
SCHEMBL7855392 0.70 GNRHR (0.57) GNRHR
SCHEMBL6976457 0.70 GNRHR (0.49) GNRHR
SCHEMBL14438150 0.69 GNRHR (0.57) GNRHR
SCHEMBL14424652 0.69 GNRHR (0.61) GNRHR
SCHEMBL5753476 0.69 GNRHR (0.69) GNRHR

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-6809098-B2 INDOLE DERIVATIVES ASTRAZENECA AB (SE) 2004-10-26 US disclosed
US-20030171354-A1 Compounds ASTRAZENECA AB (SE) 2003-09-11 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-20030171354-A1 Compounds GNRHR, LHCGR, FSHR GNRHR 1/4885TLR9 3497/4885TLR8 3615/4885

“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.