SCHEMBL1382971

SCHEMBL1382971

CC(C)COC(=O)Nc1ccc(C(=O)C=Cc2cc(N3CCCCC3)c3ccccc3n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47
MAPT P10636 4/20 0.43
RAB9A P51151 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
BCL2 P10415 1/20 0.40
BECN1 Q14457 1/20 0.40
NCF1 P14598 2/20 0.39
MOK Q9UQ07 1/20 0.39
LMNA P02545 2/20 0.38
DRD4 P21917 1/20 0.38
SLC6A2 P23975 1/20 0.38
CCKAR P32238 1/20 0.38
OPRM1 P35372 1/20 0.38
DRD3 P35462 1/20 0.38
SCN1A P35498 1/20 0.38
OPRK1 P41145 1/20 0.38
HTR2B P41595 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL5090243 1.00 BCHE (0.47) BCHEACHEMAPTRAB9ANPSR1
SCHEMBL1385466 0.91 RAB9A (0.55) BCHEACHEMAPTRAB9ANPSR1
SCHEMBL5101856 0.91 RAB9A (0.55) BCHEACHEMAPTRAB9ANPSR1
SCHEMBL5096014 0.85 BCHE (0.50) BCHEACHEMAPTNCF1MOK
SCHEMBL5096010 0.85 BCHE (0.50) BCHEACHEMAPTNCF1MOK
SCHEMBL1382222 0.83 BCHE (0.48) BCHEACHENCF1MOK
SCHEMBL5095711 0.83 BCHE (0.48) BCHEACHENCF1MOK
SCHEMBL1385155 0.83 MAPT (0.53) MAPTRAB9ANPSR1NCF1MOK
SCHEMBL1385160 0.83 MAPT (0.53) MAPTRAB9ANPSR1NCF1MOK
SCHEMBL1384275 0.81 MOK (0.49) MAPTRAB9ANPSR1NCF1MOK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4790704-B2 2011-10-12 JP claimed
US-20080207608-A1 2-Propene-1-Ones As Hsp 70 Inducers TORRENT PHARMACEUTICALS LTD. (IN) 2008-08-28 US claimed
EP-1748987-A2 2-PROPENE-1-ONES AS HSP 70 INDUCERS Torrent Pharmaceuticals Ltd (IN) 2007-02-07 EP claimed
WO-2005097746-A2 2-PROPENE-1-ONES AS HSP 70 INDUCERS TORRENT PHARMACEUTICALS LTD (IN) 2005-10-20 WO claimed
US-20080207608-A1 2-Propene-1-Ones As Hsp 70 Inducers TORRENT PHARMACEUTICALS LTD. (IN) 2008-08-28 US disclosed
EP-1748987-A2 2-PROPENE-1-ONES AS HSP 70 INDUCERS Torrent Pharmaceuticals Ltd (IN) 2007-02-07 EP disclosed
WO-2005097746-A2 2-PROPENE-1-ONES AS HSP 70 INDUCERS TORRENT PHARMACEUTICALS LTD (IN) 2005-10-20 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 (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-20080207608-A1 2-Propene-1-Ones As Hsp 70 Inducers HSPB1, HSF1, HSPE1 BCHE 4257/4885ACHE 3410/4885MAPT 71/4885

“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.