SCHEMBL2196357

SCHEMBL2196357

CCCCCC(=O)Nc1ccc2c(c1)C(C)(c1ccc(NC(=O)OCc3ccco3)cc1)CCN2C(C)=O

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 5/20 0.54
▸ FSHR P23945 7/20 0.49
▸ NPC1 O15118 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ MGLL Q99685 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ NAMPT P43490 2/20 0.35
▸ GLRA1 P23415 1/20 0.35
▸ GLRB P48167 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34

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
SCHEMBL2192651 0.86 FSHR (0.55) TSHRFSHRNPC1SMN1; SMN2KMT2A
SCHEMBL2192843 0.84 TSHR (0.65) TSHRFSHRNPC1SMN1; SMN2
SCHEMBL2191283 0.81 FSHR (0.56) TSHRFSHRNPC1SMN1; SMN2LMNA
SCHEMBL2192816 0.81 FSHR (0.56) TSHRFSHRNPC1SMN1; SMN2KMT2A
SCHEMBL2192026 0.73 TSHR (0.68) TSHRFSHR
SCHEMBL2192500 0.73 TSHR (0.50) TSHRFSHRNPC1SMN1; SMN2LMNA
SCHEMBL2192676 0.72 TSHR (0.64) TSHRFSHR
SCHEMBL2194165 0.71 TSHR (0.65) TSHRFSHR
SCHEMBL2193680 0.70 TSHR (1.00) TSHRFSHR
SCHEMBL2192533 0.70 FSHR (0.66) TSHRFSHRNPC1SMN1; SMN2RAB9A

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
US-20110172267-A1 TSH receptor antagonizing tetrahydroquinoline compounds N.V. ORGANON 2011-07-14 — — US claimed
EP-2197445-A2 TSH RECEPTOR ANTAGONIZING TETRAHYDROQUINOLINE COMPOUNDS N.V. Organon (NL) 2010-06-23 — — EP claimed
WO-2009027482-A2 TSH RECEPTOR ANTAGONIZING TETRAHYDROQUINOLINE COMPOUNDS N.V. ORGANON (NL) 2009-03-05 — — WO claimed
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

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-20110172267-A1 TSH receptor antagonizing tetrahydroquinoline compounds TSHR, MC1R, TRHR TSHR 1/4885FSHR 21/4885NPC1 3891/4885

“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.

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