SCHEMBL205046

SCHEMBL205046

CCOC(=O)C1CCCN(CCCl)C1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.60
KDM4E B2RXH2 9/20 0.60
TDP1 Q9NUW8 2/20 0.60
L3MBTL1 Q9Y468 3/20 0.57
ATM Q13315 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.56
MAPK1 P28482 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
TSHR P16473 1/20 0.54
MAPT P10636 1/20 0.54

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
SCHEMBL7926306 1.00 ALDH1A1 (0.60) ALDH1A1KDM4ETDP1L3MBTL1ATM
SCHEMBL4514567 0.92 KDM4E (0.59) ALDH1A1KDM4ETDP1L3MBTL1ATM
SCHEMBL4517151 0.88 ALDH1A1 (0.63) ALDH1A1KDM4ETDP1L3MBTL1ATM
SCHEMBL4513801 0.88 ALDH1A1 (0.63) ALDH1A1KDM4ETDP1L3MBTL1ATM
SCHEMBL4521072 0.87 ALDH1A1 (0.62) ALDH1A1KDM4ETDP1L3MBTL1ATM
SCHEMBL7925245 0.87 ALDH1A1 (0.62) ALDH1A1KDM4ETDP1L3MBTL1ATM
SCHEMBL4514426 0.87 ALDH1A1 (0.62) ALDH1A1KDM4ETDP1L3MBTL1ATM
SCHEMBL9342470 0.85 KDM4E (0.60) ALDH1A1KDM4ETDP1SMN1; SMN2
SCHEMBL7164025 0.85 ALDH1A1 (0.60) ALDH1A1KDM4ETDP1L3MBTL1ATM
SCHEMBL8871715 0.85 ALDH1A1 (0.60) ALDH1A1KDM4ETDP1L3MBTL1ATM

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088760-B2 Benzoxazole carboxamide inhibitors of poly(ADP-ribose)polymerase (PARP) BIOMARIN PHARMACEUTICAL INC. (US) 2012-01-03 US disclosed
EP-2247600-A2 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) Lead Therapeutics, Inc. (US) 2010-11-10 EP disclosed
US-20090258883-A1 1H-Indole-Pyridinecarboxamide and 1H-Indole-Piperidinecarboxamide Compounds LES LABORATOIRES SERVIER (FR) 2009-10-15 US disclosed
WO-2009099736-A2 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2009-08-13 WO disclosed
US-20090197863-A1 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2009-08-06 US disclosed
WO-2009029375-A1 NOVEL INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2009-03-05 WO disclosed
US-20090062268-A1 NOVEL INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2009-03-05 US disclosed
EP-0392803-B1 Novel compounds BEECHAM GROUP PLC (GB) 2004-06-16 EP disclosed
US-6174898-B1 TREATING FILARIAE IN LYMPHATIC SYSTEM BY ADMINISTERING N-SUBSTITUTED AZAHETEROCYCLIC CARBOXYLIC ACIDS AND ESTERS IN WHICH A SUBSTITUTED ALKYL CHAIN FORMS PART OF N-SUBSTITUENT AND SALTS NOVO NORDISK A/S (DK) 2001-01-16 US disclosed
EP-0858339-A1 A METHOD OF TREATING FILARIAE NOVO NORDISK A/S (DK) 1998-08-19 EP disclosed
US-5039685-A Nervous system disorders NOVO NORDISK A/S (DK) 1991-08-13 US disclosed
US-4988706-A Treatment of dementia in mammals, central nervous system disorders, cognition activators BEECHAM GROUP P.L.C. (GB) 1991-01-29 US disclosed
EP-0402056-A2 Azabicyclic compounds, process for their preparation and pharmaceutical compositions containing them Beecham Group p.l.c. (GB) 1990-12-12 EP disclosed
US-4971975-A TREATMENT OF DEMENTIA; AZABICYCLOOCTANE COMPOUNDS BEECHAM GROUP PLC (GB) 1990-11-20 US disclosed
EP-0392803-A1 Novel compounds Beecham Group p.l.c. (GB) 1990-10-17 EP disclosed
EP-0366304-A2 Heterocyclic derivatives, process for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1990-05-02 EP disclosed
EP-0342635-A1 Azacyclic carboxylic acid derivatives, their preparation and use NOVO NORDISK A/S (DK) 1989-11-23 EP disclosed
EP-0339834-A2 Heterocyclic compounds, process for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1989-11-02 EP disclosed
EP-0338723-A1 Novel compounds BEECHAM GROUP PLC (GB) 1989-10-25 EP disclosed
EP-0287356-A2 Bridgehead substituted azabicyclic derivatives BEECHAM GROUP PLC (GB) 1988-10-19 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 (3 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-20090197863-A1 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) PARP1, PARP2, PARP11 ALDH1A1 398/4885KDM4E 1650/4885TDP1 67/4885
US-20090062268-A1 NOVEL INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) PARP1, PARP11, PARP2 ALDH1A1 651/4885KDM4E 1849/4885TDP1 47/4885
US-20090258883-A1 1H-Indole-Pyridinecarboxamide and 1H-Indole-Piperidinecarboxamide Compounds IDO1, AHR, IDO2 ALDH1A1 370/4885KDM4E 2039/4885TDP1 2926/4885

“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.