SCHEMBL2194358

SCHEMBL2194358

CC(=O)N1CCC(C)(c2ccccc2)c2cc(NC(=O)OCC3c4ccccc4-c4ccccc43)ccc21

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.62
FSHR P23945 15/20 0.53
EPHX2 P34913 1/20 0.48
KMT2A Q03164 2/20 0.37

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
SCHEMBL2192676 0.86 TSHR (0.64) TSHRFSHR
SCHEMBL3526145 0.86 TSHR (0.46) TSHRFSHREPHX2KMT2A
SCHEMBL3521654 0.85 TSHR (0.46) TSHRFSHREPHX2KMT2A
SCHEMBL2189826 0.84 FSHR (0.64) TSHRFSHRKMT2A
SCHEMBL2195585 0.83 TSHR (0.44) TSHRFSHREPHX2KMT2A
SCHEMBL2194165 0.81 TSHR (0.65) TSHRFSHR
SCHEMBL3655121 0.80 FSHR (0.62) TSHRFSHR
SCHEMBL3396086 0.79 FSHR (0.60) TSHRFSHREPHX2KMT2A
SCHEMBL2196163 0.78 TSHR (0.61) TSHRFSHR
SCHEMBL2194212 0.78 TSHR (0.61) TSHRFSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2197445-B1 TSH RECEPTOR ANTAGONIZING TETRAHYDROQUINOLINE COMPOUNDS MERCK SHARP & DOHME (NL) 2017-04-19 EP disclosed
US-9174940-B2 TSH receptor antagonizing tetrahydroquinoline compounds MERCK SHARP & DOHME B.V. (NL) 2015-11-03 US disclosed
US-20110172267-A1 TSH receptor antagonizing tetrahydroquinoline compounds N.V. ORGANON 2011-07-14 US disclosed
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 (2 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
US-20110172267-A1 TSH receptor antagonizing tetrahydroquinoline compounds TSHR, MC1R, TRHR TSHR 1/4885FSHR 21/4885EPHX2 4135/4885

“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.