SCHEMBL4705345

SCHEMBL4705345

CC(c1ccccc1Cl)N(CCNC(=O)OC(C)(C)C)C(=O)c1nnn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1N1CCOCC1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CETP P11597 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TACR1 P25103 7/20 0.34
▸ TACR3 P29371 4/20 0.34
▸ LDHA P00338 1/20 0.33
▸ LDHB P07195 1/20 0.33
▸ CCR2 P41597 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ AKT1 P31749 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ BRD4 O60885 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ GPBAR1 Q8TDU6 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ MAPT P10636 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
SCHEMBL4705967 0.88 GPBAR1 (0.35) LMNATACR1SMN1; SMN2KDM4EGPBAR1
SCHEMBL4708044 0.86 CETP (0.37) CETPLMNATACR1TACR3SMN1; SMN2
SCHEMBL4707800 0.83 GPBAR1 (0.37) GPBAR1TP53MAPT
SCHEMBL5797817 0.83 GPBAR1 (0.37) GPBAR1TP53MAPT
Hydrochloric Acid SCHEMBL4708409 0.77 LMNA (0.36) CETPLMNATACR1LDHALDHB
SCHEMBL6426500 0.74 ALDH1A1 (0.39) CETPLMNASMN1; SMN2KDM4EGPBAR1
SCHEMBL4708394 0.74 RXFP1 (0.44) LMNASMN1; SMN2KCNH2TP53MAPT
SCHEMBL4637761 0.73 ALDH1A1 (0.38) CETPLMNASMN1; SMN2GPBAR1MAPT
SCHEMBL4708294 0.73 MEN1 (0.38) CETPLMNATACR1SMN1; SMN2KDM4E
SCHEMBL4638837 0.71 ALDH1A1 (0.38) LMNATACR1TACR3SMN1; SMN2GPBAR1

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 13 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
CN-1646502-A Triazole derivatives as tachykinin receptor antagonists LILLY CO ELI (US) 2005-07-27 — — CN 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 2514/4885LMNA 4152/4885TACR1 1/4885
US-20060160794-A1 Tachykinin receptor antagonists TACR1, TACR2, PROKR1 CETP 2319/4885LMNA 4479/4885TACR1 1/4885

“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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