SCHEMBL2195596

SCHEMBL2195596

CC(=O)N1CCC(C)(c2ccccc2)c2cc(NC(=O)CCc3cccc(Cl)c3)ccc21

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ FSHR P23945 15/20 0.78
▸ TSHR P16473 9/20 0.78
▸ KDM4E B2RXH2 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ MAPT P10636 1/20 0.42

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
SCHEMBL2193422 0.87 FSHR (1.00) FSHRTSHRMAPT
SCHEMBL2192728 0.84 FSHR (0.65) FSHRTSHR
SCHEMBL2192533 0.82 FSHR (0.66) FSHRTSHR
SCHEMBL2192843 0.81 TSHR (0.65) FSHRTSHR
SCHEMBL3655121 0.80 FSHR (0.62) FSHRTSHRMAPT
SCHEMBL2193480 0.80 TSHR (0.65) FSHRTSHRPOLBMAPT
SCHEMBL2194582 0.78 FSHR (0.61) FSHRTSHRPOLBMAPT
SCHEMBL2191637 0.76 TSHR (0.53) FSHRTSHRKDM4E
SCHEMBL1323766 0.75 FSHR (0.71) FSHRTSHR
SCHEMBL2193680 0.75 TSHR (1.00) FSHRTSHR

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 5 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-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 1/4885KDM4E 2897/4885

“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.

Send feedback