SCHEMBL2907680

SCHEMBL2907680

[CH2]CCCOC(=O)C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
FKBP1A P62942 3/20 0.40
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
EPHX1 P07099 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 1/20 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
SCHEMBL8584529 1.00 ALDH1A1 (0.42) ALDH1A1ADRB2ADRB1ADRB3FKBP1A
SCHEMBL3733817 0.98 ADRB2 (0.41) ALDH1A1ADRB2ADRB1ADRB3FKBP1A
SCHEMBL2835530 0.94 ALDH1A1 (0.41) ALDH1A1ADRB2ADRB1ADRB3FKBP1A
SCHEMBL9035818 0.94 SMN1; SMN2 (0.38) ALDH1A1ADRB2ADRB1ADRB3FKBP1A
SCHEMBL9776380 0.93 ALDH1A1 (0.41) ALDH1A1ADRB2ADRB1ADRB3FKBP1A
SCHEMBL11041022 0.92 ALDH1A1 (0.39) ALDH1A1ADRB2ADRB1ADRB3FKBP1A
SCHEMBL11037986 0.91 ALDH1A1 (0.38) ALDH1A1ADRB2ADRB1ADRB3FKBP1A
SCHEMBL6247312 0.90 MAPT (0.33) ALDH1A1ADRB2ADRB1ADRB3FKBP1A
SCHEMBL42565 0.88 ALDH1A1 (0.45) ALDH1A1ADRB2ADRB1ADRB3FKBP1A
SCHEMBL8582641 0.88 ALDH1A1 (0.45) ALDH1A1ADRB2ADRB1ADRB3FKBP1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2999482-A2 PRODRUGS AND DRUGS Biogen MA Inc. (US) 2016-03-30 EP disclosed
WO-2014190056-A2 PRODRUGS AND DRUGS BIOGEN IDEC MA INC. (US) 2014-11-27 WO disclosed
US-7829580-B2 Cyclic amine derivative having heteroaryl ring SANKYO COMPANY, LTD. (JP) 2010-11-09 US disclosed
EP-2217564-A1 COMPLEX PANTOIC ACID ESTER NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE XenoPort, Inc. (US) 2010-08-18 EP disclosed
US-20090306059-A1 CYCLIC AMINE DERIVATIVE HAVING SUBSTITUTED ALKYL GROUP DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-12-10 US disclosed
US-20090076147-A1 COMPLEX PANTOIC ACID ESTER NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE XENOPORT, INC. 2009-03-19 US disclosed
WO-2009033054-A1 COMPLEX PANTOIC ACID ESTER NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE XENOPORT, INC. (US) 2009-03-12 WO disclosed
EP-1919290-A2 METHODS AND PRODUCTS FOR TREATMENT OF DISEASES DMI Biosciences, Inc. (US) 2008-05-14 EP disclosed
EP-1889835-A1 CYCLIC AMINE DERIVATIVE HAVING SUBSTITUTED ALKYL GROUP Daiichi Sankyo Company, Limited (JP) 2008-02-20 EP disclosed
WO-2007009087-A2 METHODS AND PRODUCTS FOR TREATMENT OF DISEASES DMI BIOSCIENCES, INC. (US) 2007-01-18 WO disclosed
US-6511965-B2 For therapy and prophylaxis of inflammatory disorders, autoimmune diseases or septicemia SANKYO COMPANY, LIMITED (JP) 2003-01-28 US disclosed
US-20020161221-A1 Ether type lipid a 1-carboxylic acid analogs SANKYO COMPANY, LIMITED (JP) 2002-10-31 US disclosed
US-20020137791-A1 NEURAMINIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR MEDICAL USE SANKYO COMPANY, LIMITED (JP) 2002-09-26 US disclosed
US-6451766-B1 SIALIDASE INHIBITORS; INFLUENZA VIRICIDES SANKYO COMPANY, LIMITED (JP) 2002-09-17 US disclosed
US-6340702-B1 SIALIDASE INHIBITORS; ANTIVIRAL COMPOUNDS SANKYO COMPANY, LIMITED (JP) 2002-01-22 US disclosed
EP-1152007-A1 ETHER TYPE LIPID A1-CARBOXYLIC ACID ANALOGUES Sankyo Company, Limited (JP) 2001-11-07 EP disclosed
WO-2001002413-A1 BAFIlOMYCIN DERIVATIVES WITH ANTICANCER ACTIVITY INSTITUTO BIOMAR S.A. (ES) 2001-01-11 WO disclosed
EP-0934939-A1 NEURAMINIC ACID COMPOUNDS Sankyo Company, Limited (JP) 1999-08-11 EP disclosed
EP-0721454-A1 NEW PYRAZOLE DERIVATIVES AS ANGIOTENSIN II ANTAGONIST J. URIACH & CIA. S.A. (ES) 1996-07-17 EP disclosed
US-4477447-A ANTIBIOTIC, BACTERICIDE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-10-16 US 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-20020137791-A1 NEURAMINIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR MEDICAL USE NEU1, NEU3, NEU2 ALDH1A1 660/4885ADRB2 370/4885ADRB1 185/4885
US-20090076147-A1 COMPLEX PANTOIC ACID ESTER NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE ADSL, SLC19A1, SLC25A21 ALDH1A1 1514/4885ADRB2 4511/4885ADRB1 4361/4885
US-20020161221-A1 Ether type lipid a 1-carboxylic acid analogs MSR1, ELOVL1, FFAR1 ALDH1A1 358/4885ADRB2 1845/4885ADRB1 952/4885
US-20090306059-A1 CYCLIC AMINE DERIVATIVE HAVING SUBSTITUTED ALKYL GROUP CBR3, CNR1, C3AR1 ALDH1A1 2601/4885ADRB2 1603/4885ADRB1 1335/4885

“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.