SCHEMBL3526145

SCHEMBL3526145

CC(=O)N1CCC(C)(c2ccccc2)c2cc(NC(=O)OCC3c4ccccc4-c4ccccc43)c(N)cc21

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
FSHR P23945 3/20 0.40
EPHX2 P34913 1/20 0.39
KMT2A Q03164 2/20 0.37
HDAC1 Q13547 7/20 0.37
HDAC2 Q92769 7/20 0.37
HDAC3 O15379 6/20 0.37
CHRM3 P20309 5/20 0.35
FABP7 O15540 1/20 0.35
FABP5 Q01469 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
SCHEMBL3521654 0.89 TSHR (0.46) TSHRFSHREPHX2KMT2ACHRM3
SCHEMBL2195585 0.87 TSHR (0.44) TSHRFSHREPHX2KMT2ACHRM3
SCHEMBL2194358 0.86 TSHR (0.62) TSHRFSHREPHX2KMT2A
SCHEMBL2191489 0.85 FSHR (0.51) TSHRFSHRKMT2A
SCHEMBL2192803 0.75 FSHR (0.48) TSHRFSHRKMT2A
SCHEMBL2194592 0.74 TSHR (0.42) TSHRFSHRKMT2A
SCHEMBL2194880 0.73 FSHR (0.46) TSHRFSHRKMT2A
SCHEMBL2189826 0.72 FSHR (0.64) TSHRFSHRKMT2A
SCHEMBL2192676 0.72 TSHR (0.64) TSHRFSHR
SCHEMBL31423769 0.70 EPHX2 (0.53) EPHX2KMT2AHDAC1HDAC2HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858794-B2 Tetrahydroquinoline derivatives N.V. ORGANON (NL) 2010-12-28 US disclosed
EP-1578726-B1 TETRAHYDROQUINOLINE DERIVATIVES ORGANON NV (NL) 2009-02-25 EP disclosed
US-20060142334-A1 Tetrahydroquinoline derivatives MERCK SHARP & DOHME B.V. (NL) 2006-06-29 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-20060142334-A1 Tetrahydroquinoline derivatives GNRHR, KCNH3, HCAR3 TSHR 628/4885FSHR 9/4885EPHX2 1893/4885

“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.