SCHEMBL2192149

SCHEMBL2192149

CC(=O)N1CCC(C)(c2ccccc2)c2cc(NC(=O)OCc3cccs3)c(N(C)C)cc21

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.49
▸ FSHR P23945 7/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ CYP3A4 P08684 1/20 0.35
▸ HDAC1 Q13547 5/20 0.34
▸ HDAC2 Q92769 5/20 0.34
▸ HDAC3 O15379 4/20 0.34
▸ PARP1 P09874 1/20 0.33
▸ TACR3 P29371 1/20 0.32

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 0.81 TSHR (0.46) TSHRFSHR
SCHEMBL3522829 0.75 FSHR (0.43) TSHRFSHR
SCHEMBL3522467 0.74 FSHR (0.44) TSHRFSHR
SCHEMBL2191637 0.74 TSHR (0.53) TSHRFSHRNPC1RAB9A
SCHEMBL2192533 0.72 FSHR (0.66) TSHRFSHRNPC1RAB9A
SCHEMBL2192026 0.69 TSHR (0.68) TSHRFSHR
SCHEMBL2194165 0.67 TSHR (0.65) TSHRFSHR
SCHEMBL2192676 0.66 TSHR (0.64) TSHRFSHR
SCHEMBL2193680 0.66 TSHR (1.00) TSHRFSHR
SCHEMBL3655121 0.66 FSHR (0.62) TSHRFSHRNPC1RAB9A

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 claimed
US-9174940-B2 TSH receptor antagonizing tetrahydroquinoline compounds MERCK SHARP & DOHME B.V. (NL) 2015-11-03 — — US claimed
US-20110172267-A1 TSH receptor antagonizing tetrahydroquinoline compounds N.V. ORGANON 2011-07-14 — — US 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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