SCHEMBL6808874

SCHEMBL6808874

CCN(CC)C(=O)C(C)(C)c1ccc2[nH]c(-c3cc(C)cs3)c(CCN/C(=N/C#N)Oc3ccccc3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 7/20 0.44
MTNR1A P48039 3/20 0.35
MTNR1B P49286 3/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL6808881 1.00 GNRHR (0.44) GNRHRMTNR1AMTNR1BKDM4EALDH1A1
SCHEMBL14424672 0.89 GNRHR (0.56) GNRHR
SCHEMBL6804909 0.78 GNRHR (0.50) GNRHRCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL14424674 0.75 GNRHR (0.56) GNRHR
SCHEMBL14424652 0.75 GNRHR (0.61) GNRHR
SCHEMBL14424650 0.72 GNRHR (0.56) GNRHR
SCHEMBL14424671 0.72 GNRHR (0.56) GNRHR
SCHEMBL14424669 0.71 GNRHR (0.57) GNRHR
SCHEMBL14438214 0.71 GNRHR (0.67) GNRHR
SCHEMBL5753476 0.70 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 1/4885MTNR1A 113/4885MTNR1B 68/4885

“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.