SCHEMBL2196163

SCHEMBL2196163

CC(=O)N1CCC(C)(c2ccccc2)c2cc(NC(=O)O[C@H](C)C(C)C)ccc21

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.61
FSHR P23945 16/20 0.55
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TDP1 Q9NUW8 1/20 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
SCHEMBL2194212 1.00 TSHR (0.61) TSHRFSHRLMNATP53MMP1
SCHEMBL2192031 0.89 TSHR (0.59) TSHRFSHRLMNATP53KDM4E
SCHEMBL3655121 0.85 FSHR (0.62) TSHRFSHRTP53NPC1RAB9A
SCHEMBL2194165 0.84 TSHR (0.65) TSHRFSHR
SCHEMBL2192026 0.83 TSHR (0.68) TSHRFSHR
SCHEMBL2192676 0.80 TSHR (0.64) TSHRFSHR
SCHEMBL2194582 0.79 FSHR (0.61) TSHRFSHRNPC1RAB9A
SCHEMBL2194358 0.78 TSHR (0.62) TSHRFSHR
SCHEMBL2191415 0.78 TSHR (0.55) TSHRFSHRLMNA
SCHEMBL2191417 0.78 TSHR (0.55) TSHRFSHRLMNA

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 1 patent. 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 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 21/4885LMNA 1653/4885

“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.