SCHEMBL2192533

SCHEMBL2192533

CC(=O)N1CCC(C)(c2ccccc2)c2cc(NC(=O)CCc3cccs3)ccc21

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FSHR P23945 12/20 0.66
▸ TSHR P16473 4/20 0.66
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ PTPRF P10586 4/20 0.41
▸ PTPN2 P17706 4/20 0.41
▸ PTPN1 P18031 4/20 0.41
▸ NAMPT P43490 1/20 0.40

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
SCHEMBL2195596 0.82 FSHR (0.78) FSHRTSHR
SCHEMBL3655121 0.81 FSHR (0.62) FSHRTSHRNPC1RAB9ASMN1; SMN2
SCHEMBL2193422 0.80 FSHR (1.00) FSHRTSHR
SCHEMBL2194582 0.79 FSHR (0.61) FSHRTSHRNPC1RAB9ASMN1; SMN2
SCHEMBL2193028 0.76 FSHR (0.53) FSHRTSHRNPC1RAB9ASMN1; SMN2
SCHEMBL2192026 0.75 TSHR (0.68) FSHRTSHR
SCHEMBL2192816 0.75 FSHR (0.56) FSHRTSHRNPC1RAB9ASMN1; SMN2
SCHEMBL2191283 0.75 FSHR (0.56) FSHRTSHRNPC1RAB9ASMN1; SMN2
SCHEMBL2194212 0.73 TSHR (0.61) FSHRTSHRNPC1RAB9A
SCHEMBL2196163 0.73 TSHR (0.61) FSHRTSHRNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 FSHR 21/4885TSHR 1/4885NPC1 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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