SCHEMBL3464630

SCHEMBL3464630

O=C(O)C1C2OCCOC21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.42
▸ LMNA P02545 3/20 0.42
▸ PMP22 Q01453 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ GMNN O75496 1/20 0.42
▸ TFPI2 P48307 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ THPO P40225 1/20 0.42
▸ GRM8 O00222 1/20 0.39
▸ GRM6 O15303 1/20 0.39
▸ GRM2 Q14416 1/20 0.39
▸ GRM3 Q14832 1/20 0.39
▸ GRM4 Q14833 1/20 0.39
▸ PPP5C P53041 1/20 0.37
▸ POLB P06746 4/20 0.36
▸ TDP1 Q9NUW8 3/20 0.36
▸ APEX1 P27695 1/20 0.36
▸ CYP2D6 P10635 2/20 0.35
▸ BLM P54132 2/20 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
SCHEMBL31181976 1.00 TSHR (0.42) TSHRLMNAPMP22KDM4EGMNN
SCHEMBL8473651 0.74 — —
SCHEMBL29939170 0.74 — —
SCHEMBL8763778 0.74 — —
SCHEMBL3464541 0.71 KDM4E (0.38) TSHRLMNAPMP22KDM4EGMNN
SCHEMBL31181965 0.71 KDM4E (0.38) TSHRLMNAPMP22KDM4EGMNN
SCHEMBL28611363 0.69 SUCNR1 (0.50) TSHRLMNAPMP22KDM4EGMNN
SCHEMBL1845838 0.69 — —
SCHEMBL15796493 0.65 TSHR (0.41) TSHRLMNAPMP22KDM4EGMNN
SCHEMBL15796345 0.65 TSHR (0.68) TSHRLMNAPMP22KDM4EGMNN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023097341-A2 BICYCLIC AMIDES AND ESTERS FOR CONTROLLING INVERTEBRATE PESTS FMC CORPORATION (US) 2023-06-01 — — WO claimed
WO-2023097341-A2 BICYCLIC AMIDES AND ESTERS FOR CONTROLLING INVERTEBRATE PESTS FMC CORPORATION (US) 2023-06-01 — — WO disclosed
US-8071651-B2 5-amino-4-hydroxy-7-(imidazo [1,2-A] pyridin-6-ylmethyl)-8-methyl-nonamide derivatives and related compounds as renin inhibitors for the treatment of hypertension NOVARTIS AG (CH) 2011-12-06 — — US disclosed
US-20100063087-A1 5-Amino-4-Hydroxy-7-(Imidazo [1,2-A] Pyridin-6-Ylmethyl)-8-Methyl-Nonamide Derivatives and Related Compounds as Renin Inhibitors for the Treatment of Hypertension SPEEDEL EXPERIMENTA AG (CH) 2010-03-11 — — US disclosed
EP-1948654-B1 5-AMINO-4-HYDROXY-7- (IMIDAZO [1,2-A] PYRIDIN-6- YLMETHYL)-8-METHYL-NONAMIDE DERIVATIVES AND RELATED COMPOUNDS AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION NOVARTIS AG (CH) 2009-06-24 — — EP disclosed
EP-1958666-A1 Heterocyclic-substituted alkanamides as therapeutic compounds Speedel Experimenta AG (CH) 2008-08-20 — — EP disclosed
EP-1948654-A1 5-AMINO-4-HYDROXY-7- (IMIDAZO [1,2-A] PYRIDIN-6- YLMETHYL)-8-METHYL-NONAMIDE DERIVATIVES AND RELATED COMPOUNDS AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION Speedel Experimenta AG (CH) 2008-07-30 — — EP disclosed
US-20080176947-A1 Heterocyclic-Substituted Alkanamides Useful as Renin Inhibitors NOVARTIS AG (CH) 2008-07-24 — — US disclosed
EP-1856032-A1 HETEROCYCLIC-SUBSTITUTED ALKANAMIDES USEFUL AS RENIN INHIBITORS Speedel Experimenta AG (CH) 2007-11-21 — — EP disclosed
WO-2007031558-A1 5-AMINO-4-HYDROXY-7- (IMIDAZO [1,2-A] PYRIDIN-6- YLMETHYL)-8-METHYL-NONAMIDE DERIVATIVES AND RELATED COMPOUNDS AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION SPEEDEL EXPERIMENTA AG (CH) 2007-03-22 — — WO disclosed
WO-2006095020-A1 HETEROCYCLIC-SUBSTITUTED ALKANAMIDES USEFUL AS RENIN INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2006-09-14 — — 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-20080176947-A1 Heterocyclic-Substituted Alkanamides Useful as Renin Inhibitors REN, ACE, AGTR1 TSHR 1434/4885LMNA 1600/4885PMP22 2826/4885
US-20100063087-A1 5-Amino-4-Hydroxy-7-(Imidazo [1,2-A] Pyridin-6-Ylmethyl)-8-Methyl-Nonamide Derivatives and Related Compounds as Renin Inhibitors for the Treatment of Hypertension REN, AGTR1, AGTR2 TSHR 549/4885LMNA 10/4885PMP22 4336/4885

“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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