SCHEMBL2191637

SCHEMBL2191637

CC(=O)N1CCC(C)(c2ccccc2)c2cc(NC(=O)CCc3ccc(Cl)cc3)c(N(C)C)cc21

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 5/20 0.53
▸ FSHR P23945 5/20 0.53
▸ EPHX1 P07099 1/20 0.40
▸ EPHX2 P34913 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ TRPV1 Q8NER1 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ CCR1 P32246 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ HPGD P15428 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ HCAR2 Q8TDS4 1/20 0.35
▸ NPY2R P49146 1/20 0.35

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
SCHEMBL3522829 0.77 FSHR (0.43) TSHRFSHR
SCHEMBL2195596 0.76 FSHR (0.78) TSHRFSHRKDM4E
SCHEMBL3522467 0.75 FSHR (0.44) TSHRFSHR
SCHEMBL3521654 0.74 TSHR (0.46) TSHRFSHREPHX2
SCHEMBL2192149 0.74 TSHR (0.49) TSHRFSHRNPC1RAB9A
SCHEMBL2193480 0.73 TSHR (0.65) TSHRFSHRNPC1RAB9A
SCHEMBL2193422 0.69 FSHR (1.00) TSHRFSHRTRPV1
SCHEMBL3524943 0.69 MEN1 (0.58) TSHRFSHRLMNA
SCHEMBL3655121 0.67 FSHR (0.62) TSHRFSHRSMN1; SMN2NPC1RAB9A
SCHEMBL2193680 0.66 TSHR (1.00) TSHRFSHR

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 TSHR 1/4885FSHR 21/4885EPHX1 3802/4885

“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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