SCHEMBL4708044

SCHEMBL4708044

CC(C)(C)OC(=O)NCCN(Cc1ccccc1Cl)C(=O)c1nnn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1N1CCOCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CETP P11597 1/20 0.37
▸ MEN1 O00255 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ SLC16A3 O15427 1/20 0.34
▸ SLC16A1 P53985 1/20 0.34
▸ MCTS1 Q9ULC4 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ AKT1 P31749 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ TACR1 P25103 5/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ TACR3 P29371 1/20 0.33
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32

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
SCHEMBL4708294 0.88 MEN1 (0.38) CETPMEN1LMNAKMT2ATSHR
SCHEMBL4705345 0.86 CETP (0.35) CETPLMNASMN1; SMN2AKT1KDM4E
SCHEMBL4706601 0.83 GPBAR1 (0.37) MEN1LMNAKMT2ATSHRSLC16A3
SCHEMBL4708394 0.79 RXFP1 (0.44) MEN1LMNAKMT2ATSHRALDH1A1
Hydrochloric Acid SCHEMBL4706599 0.76 TACR1 (0.35) CETPTSHRALDH1A1NPSR1SLC16A3
SCHEMBL6426500 0.75 ALDH1A1 (0.39) CETPMEN1LMNAKMT2ATSHR
SCHEMBL4637761 0.74 ALDH1A1 (0.38) CETPMEN1LMNAKMT2ATSHR
SCHEMBL4705967 0.73 GPBAR1 (0.35) MEN1LMNAKMT2ATSHRALDH1A1
SCHEMBL6480543 0.73 ALDH1A1 (0.36) ALDH1A1SLC16A3SLC16A1MCTS1SMN1; SMN2
SCHEMBL4707117 0.71 TACR1 (0.45) MEN1LMNAKMT2ATSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7320994-B2 Triazole derivatives as tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 2008-01-22 — — US claimed
EP-1501809-B1 TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-01-16 — — EP claimed
US-20060160794-A1 Tachykinin receptor antagonists ELI LILLY AND COMPANY 2006-07-20 — — US claimed
EP-1638944-A1 TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-03-29 — — EP claimed
US-20050239786-A1 Triazole derivatives as tachykinin receptor antagonists ELI LILLY COMPANY (US) 2005-10-27 — — US claimed
EP-1501809-A1 TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-02-02 — — EP claimed
WO-2005000821-A1 TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-01-06 — — WO claimed
WO-2003091226-A1 TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2003-11-06 — — WO claimed
EP-1501809-B1 TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-01-16 — — EP disclosed
US-20060160794-A1 Tachykinin receptor antagonists ELI LILLY AND COMPANY 2006-07-20 — — US disclosed
EP-1638944-A1 TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-03-29 — — EP disclosed
WO-2005000821-A1 TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-01-06 — — WO 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 (2 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-20050239786-A1 Triazole derivatives as tachykinin receptor antagonists TACR1, TACR2, BDKRB1 CETP 2514/4885MEN1 1680/4885LMNA 4152/4885
US-20060160794-A1 Tachykinin receptor antagonists TACR1, TACR2, PROKR1 CETP 2319/4885MEN1 824/4885LMNA 4479/4885

“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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