SCHEMBL3689858

SCHEMBL3689858

COC(=O)CN1C2CC(=O)CC1CC(C(=O)OC)C2

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.41
CHRNB2 P17787 2/20 0.37
CHRNA4 P43681 2/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA7 P36544 1/20 0.37
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
MMP2 P08253 1/20 0.34
ANPEP P15144 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
HSP90AA1 P07900 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
Hydrochloric Acid SCHEMBL3693041 0.97 BRD4 (0.39) BRD4CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL12994229 0.87 BRD4 (0.36) BRD4CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5118396 0.85 BRD4 (0.42) BRD4CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL14441118 0.85 BRD4 (0.35) BRD4ALDH1A1NPSR1HSP90AA1
SCHEMBL3244631 0.83 CHRNB2 (0.40) BRD4CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5727783 0.82 BRD4 (0.50) BRD4CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL1010815 0.82 BRD4 (0.39) BRD4KMT2AMEN1ALDH1A1KDM4E
SCHEMBL14446813 0.81 TP53 (0.39) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL14014829 0.81 CHRNB2 (0.39) BRD4CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL7319111 0.80 MAPK1 (0.47) BRD4KMT2AMEN1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2060557-B1 Intermediate compounds useful to prepare dolasetron INKE SA (ES) 2012-06-06 EP disclosed
US-7858821-B2 Intermediate compounds useful to prepare dolasetron INKE, S.A. (ES) 2010-12-28 US disclosed
US-7858821-B2 Intermediate compounds useful to prepare dolasetron INKE, S.A. (ES) 2010-12-28 US disclosed
US-7608714-B2 Production of dolasetron TEVA Gyógyszergyár Zártkörúen Müködö Részvénytársaság (HU) 2009-10-27 US disclosed
EP-2060557-A1 Intermediate compounds useful to prepare dolasetron INKE, S.A. (ES) 2009-05-20 EP disclosed
US-20090124807-A1 INTERMEDIATE COMPOUNDS USEFUL TO PREPARE DOLASETRON INKE, S.A. 2009-05-14 US disclosed
US-20090124807-A1 INTERMEDIATE COMPOUNDS USEFUL TO PREPARE DOLASETRON INKE, S.A. 2009-05-14 US disclosed
US-20080275241-A1 Polymorphic Forms of Dolasetron Base and Processes of Preparing Dolasetron Base, Its Polymorphic Forms and Salt Thereof USV LIMITED (IN) 2008-11-06 US disclosed
EP-1861397-A2 PRODUCTION OF DOLASETRON TEVA Gyógyszergyár Zártkörüen Müködö Részvénytársaság (HU) 2007-12-05 EP disclosed
US-20070203219-A1 Production of dolasetron TEVA PHARMACEUTICALS USA, INC. 2007-08-30 US disclosed
US-20070203219-A1 Production of dolasetron TEVA PHARMACEUTICALS USA, INC. 2007-08-30 US disclosed
US-20070203175-A1 Productioin of dolasetron TEVA PHARMACEUTICALS USA, INC. 2007-08-30 US disclosed
US-20070203175-A1 Productioin of dolasetron TEVA PHARMACEUTICALS USA, INC. 2007-08-30 US disclosed
US-20070203175-A1 Productioin of dolasetron TEVA PHARMACEUTICALS USA, INC. 2007-08-30 US disclosed
WO-2007081890-A2 PRODUCTION OF DOLASETRON TEVA GYÓGYSZERGYÁR ZÁRTKÖRÜEN MÜKÖDÖ RÉSZVÉNYTÁRSASÁG (HU) 2007-07-19 WO disclosed
EP-0339669-A1 Process for preparing indole-3-carboxylic acid esters of trans-hexahydro-8-hydroxy-2,6-methano-2H-quinolizin-3(4H)-one MERRELL DOW PHARMACEUTICALS INC. (US) 1989-11-02 EP 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 (4 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-20090124807-A1 INTERMEDIATE COMPOUNDS USEFUL TO PREPARE DOLASETRON DHPS, ALG8, DDOST BRD4 4552/4885CHRNB2 2979/4885CHRNA4 3398/4885
US-20080275241-A1 Polymorphic Forms of Dolasetron Base and Processes of Preparing Dolasetron Base, Its Polymorphic Forms and Salt Thereof CYP4A11, CYP3A43, VKORC1 BRD4 3815/4885CHRNB2 1234/4885CHRNA4 819/4885
US-20070203175-A1 Productioin of dolasetron DDOST, ALG8, DUT BRD4 4178/4885CHRNB2 2266/4885CHRNA4 2568/4885
US-20070203219-A1 Production of dolasetron DDOST, DAD1, DHPS BRD4 4383/4885CHRNB2 3222/4885CHRNA4 2700/4885

“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.