SCHEMBL5835653

SCHEMBL5835653

CCN(CC)c1ccc(NC(=O)[C@@]2(NC(=O)OCC(C)(C)[N+](=O)[O-])CCc3ccccc3C2)cc1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 6/20 0.72
KCNH2 Q12809 1/20 0.40
ALDH1A1 P00352 3/20 0.37
POLB P06746 2/20 0.37
MAPT P10636 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
NOX1 Q9Y5S8 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
FAAH O00519 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
GFER P55789 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPY2R P49146 2/20 0.34
NPY1R P25929 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
KDM4E B2RXH2 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL5834790 1.00 GHSR (0.72) GHSRKCNH2ALDH1A1POLBMAPT
SCHEMBL5834776 0.89 GHSR (0.79) GHSRKCNH2ALDH1A1POLBMAPT
SCHEMBL5835777 0.88 GHSR (0.77) GHSRKCNH2ALDH1A1POLBMAPT
SCHEMBL5836158 0.88 GHSR (0.77) GHSRKCNH2ALDH1A1POLBMAPT
SCHEMBL5834796 0.86 GHSR (0.82) GHSRKCNH2ALDH1A1POLBMAPT
SCHEMBL5834883 0.84 GHSR (1.00) GHSRKCNH2POLBMAPTMEN1
SCHEMBL5835377 0.84 GHSR (0.79) GHSRKCNH2ALDH1A1POLBMAPT
SCHEMBL5835511 0.82 GHSR (0.45) GHSR
SCHEMBL5835606 0.82 GHSR (0.77) GHSRKCNH2ALDH1A1POLBMAPT
SCHEMBL5835194 0.82 GHSR (0.77) GHSRKCNH2ALDH1A1POLBMAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7115767-B2 Tetraline derivatives as ghrelin receptor modulators ABBOTT LABORATORIES (US) 2006-10-03 US claimed
US-20050014794-A1 Tetraline derivatives as ghrelin receptor modulators ABBVIE INC. 2005-01-20 US claimed
US-7115767-B2 Tetraline derivatives as ghrelin receptor modulators ABBOTT LABORATORIES (US) 2006-10-03 US disclosed
US-20050014794-A1 Tetraline derivatives as ghrelin receptor modulators ABBVIE INC. 2005-01-20 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-20050014794-A1 Tetraline derivatives as ghrelin receptor modulators GPR119, GHSR, GIPR GHSR 2/4885KCNH2 3931/4885ALDH1A1 3852/4885

“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.