SCHEMBL3823428

SCHEMBL3823428

COC(=O)c1cc(CN2CCOCC2)on1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.61
▸ THRB P10828 3/20 0.58
▸ TP53 P04637 1/20 0.56
▸ MAPT P10636 1/20 0.54
▸ ALDH1A1 P00352 3/20 0.49
▸ HDAC3 O15379 1/20 0.48
▸ HDAC4 P56524 1/20 0.48
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC7 Q8WUI4 1/20 0.48
▸ HDAC2 Q92769 1/20 0.48
▸ HDAC10 Q969S8 1/20 0.48
▸ HDAC11 Q96DB2 1/20 0.48
▸ HDAC8 Q9BY41 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48
▸ HDAC9 Q9UKV0 1/20 0.48
▸ HDAC5 Q9UQL6 1/20 0.48
▸ HCRTR1 O43613 1/20 0.47
▸ HCRTR2 O43614 1/20 0.47
▸ HRH3 Q9Y5N1 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL1808799 0.86 TP53 (0.66) LMNATHRBTP53MAPTALDH1A1
SCHEMBL1810038 0.82 LMNA (0.60) LMNATHRBTP53MAPTALDH1A1
SCHEMBL8149851 0.82 TP53 (0.53) LMNATHRBTP53MAPTALDH1A1
Hydrochloric Acid SCHEMBL1808720 0.81 LMNA (0.58) LMNATHRBTP53MAPTALDH1A1
SCHEMBL5780210 0.81 LMNA (0.58) LMNATHRBTP53MAPTALDH1A1
SCHEMBL20431176 0.80 LMNA (0.57) LMNATHRBTP53MAPTALDH1A1
SCHEMBL8132190 0.79 TP53 (0.52) LMNATHRBTP53MAPTALDH1A1
SCHEMBL2255842 0.78 SMN1; SMN2 (0.46) LMNAALDH1A1HCRTR1HCRTR2MEN1
SCHEMBL18942317 0.74 LMNA (0.53) LMNATHRBTP53MAPTALDH1A1
SCHEMBL1859625 0.74 HRH3 (0.60) HCRTR1HCRTR2HRH3KMT2AMAPK1

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-10787482-B2 Epoxyketone compounds for enzyme inhibition Centrax International Inc. (US) 2020-09-29 — — US disclosed
US-10640533-B2 Epoxyketone compounds for enzyme inhibition CENTRAX INTERNATIONAL, INC. (US) 2020-05-05 — — US disclosed
US-20200087343-A1 EPOXYKETONE COMPOUNDS FOR ENZYME INHIBITION CENTRAX INTERNATIONAL, INC. (US) 2020-03-19 — — US disclosed
EP-3166933-B1 EPOXYKETONE COMPOUNDS FOR ENZYME INHIBITION CENTRAX INT INC (US) 2018-08-01 — — EP disclosed
US-20170158734-A1 EPOXYKETONE COMPOUNDS FOR ENZYME INHIBITION CENTRAX INTERNATIONAL, INC. (US) 2017-06-08 — — US disclosed
US-20170158734-A1 EPOXYKETONE COMPOUNDS FOR ENZYME INHIBITION CENTRAX INTERNATIONAL, INC. (US) 2017-06-08 — — US disclosed
WO-2016011088-A2 EPOXYKETONE COMPOUNDS FOR ENZYME INHIBITION CENTRAX INTERNATIONAL, INC. (US) 2016-01-21 — — WO disclosed
EP-1727551-B1 PHARMACEUTICAL COMPOSITION COMPRISING A BENZODIAZEPINE DERIVATIVE AND A INHIBITOR OF THE RSV FUSION PROTEIN ARROW THERAPEUTICS LTD (GB) 2009-09-09 — — EP disclosed
WO-2008140782-A2 COMPOUNDS FOR ENZYME INHIBITION PROTEOLIX, INC. (US) 2008-11-20 — — WO disclosed
US-20080139536-A1 Benzodiazepines for Treating or Preventing Rsv Infection NOVARTIS PHARMACEUTICALS CORPORATION (US) 2008-06-12 — — US disclosed
US-20070185096-A1 Pharmaceutical composition comprising a benzodiazepine derivative and an inhibitor of the rsv fusion protein NOVARTIS PHARMACEUTICALS CORPORATION (US) 2007-08-09 — — US disclosed
CN-1933841-A Pharmaceutical composition comprising a benzodiazepine derivative and an inhibitor of the rsv fusion protein ARROW THERAPEUTICS LTD (GB) 2007-03-21 — — CN 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 (6 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-20070185096-A1 Pharmaceutical composition comprising a benzodiazepine derivative and an inhibitor of the rsv fusion protein GABRP, TSPO, GABRA1 LMNA 1760/4885THRB 3183/4885TP53 3080/4885
US-10787482-B2 Epoxyketone compounds for enzyme inhibition PSMD10, PSMC1, PSMB10 LMNA 2177/4885THRB 4088/4885TP53 1825/4885
US-10640533-B2 Epoxyketone compounds for enzyme inhibition PSMD10, PSMC1, PSMB10 LMNA 2177/4885THRB 4088/4885TP53 1825/4885
US-20170158734-A1 EPOXYKETONE COMPOUNDS FOR ENZYME INHIBITION PSMD10, PSMC1, PSMB10 LMNA 2177/4885THRB 4088/4885TP53 1825/4885
US-20200087343-A1 EPOXYKETONE COMPOUNDS FOR ENZYME INHIBITION PSMD10, PSMC1, PSMB10 LMNA 2177/4885THRB 4088/4885TP53 1825/4885
US-20080139536-A1 Benzodiazepines for Treating or Preventing Rsv Infection CNR1, CBR1, CBR3 LMNA 1867/4885THRB 471/4885TP53 4610/4885

“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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