SCHEMBL2194582

SCHEMBL2194582

CC(=O)N1CCC(C)(c2ccccc2)c2cc(NC(=O)COc3ccccc3)ccc21

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FSHR P23945 5/20 0.61
TSHR P16473 3/20 0.61
NPC1 O15118 5/20 0.52
RAB9A P51151 3/20 0.52
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45

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
SCHEMBL3655121 0.85 FSHR (0.62) FSHRTSHRNPC1RAB9AMAPT
SCHEMBL2192026 0.81 TSHR (0.68) FSHRTSHR
SCHEMBL2192533 0.79 FSHR (0.66) FSHRTSHRNPC1RAB9ASMN1; SMN2
SCHEMBL2196163 0.79 TSHR (0.61) FSHRTSHRNPC1RAB9A
SCHEMBL2194212 0.79 TSHR (0.61) FSHRTSHRNPC1RAB9A
SCHEMBL2194165 0.79 TSHR (0.65) FSHRTSHR
SCHEMBL2195596 0.78 FSHR (0.78) FSHRTSHRPOLBMAPT
SCHEMBL2192676 0.78 TSHR (0.64) FSHRTSHR
SCHEMBL2192031 0.77 TSHR (0.59) FSHRTSHRNPC1RAB9A
SCHEMBL2193480 0.77 TSHR (0.65) FSHRTSHRNPC1RAB9APOLB

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.