SCHEMBL2192803

SCHEMBL2192803

CC(=O)N1c2cc(N(C)C)c(NC(=O)OCC3c4ccccc4-c4ccccc43)cc2C(C)(c2ccccc2)CC1(C)C

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FSHR P23945 18/20 0.48
MEN1 O00255 1/20 0.46
ADRB2 P07550 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TSHR P16473 1/20 0.44

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
SCHEMBL2191489 0.89 FSHR (0.51) FSHRMEN1ADRB2KMT2ANPSR1
SCHEMBL2194880 0.87 FSHR (0.46) FSHRMEN1ADRB2KMT2ANPSR1
SCHEMBL3521654 0.85 TSHR (0.46) FSHRKMT2ATSHR
SCHEMBL2189826 0.85 FSHR (0.64) FSHRMEN1ADRB2KMT2ANPSR1
SCHEMBL3396086 0.80 FSHR (0.60) FSHRMEN1ADRB2KMT2ANPSR1
SCHEMBL3394449 0.78 FSHR (0.54) FSHR
SCHEMBL3523939 0.75 FSHR (0.62) FSHRMEN1ADRB2KMT2ANPSR1
SCHEMBL3526145 0.75 TSHR (0.46) FSHRKMT2ATSHR
SCHEMBL2195585 0.72 TSHR (0.44) FSHRKMT2ATSHR
SCHEMBL2194358 0.72 TSHR (0.62) FSHRKMT2ATSHR

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 10 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-2197445-A2 TSH RECEPTOR ANTAGONIZING TETRAHYDROQUINOLINE COMPOUNDS N.V. Organon (NL) 2010-06-23 EP disclosed
WO-2009027482-A2 TSH RECEPTOR ANTAGONIZING TETRAHYDROQUINOLINE COMPOUNDS N.V. ORGANON (NL) 2009-03-05 WO 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
EP-1578726-A2 TETRAHYDROQUINOLINE DERIVATIVES Akzo Nobel N.V. (NL) 2005-09-28 EP disclosed
WO-2004056780-A2 TETRAHYDROQUINOLINE DERIVATIVES AKZO NOBEL N.V. (NL) 2004-07-08 WO 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 FSHR 9/4885MEN1 2286/4885ADRB2 602/4885
US-20110172267-A1 TSH receptor antagonizing tetrahydroquinoline compounds TSHR, MC1R, TRHR FSHR 21/4885MEN1 74/4885ADRB2 279/4885

“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.