SCHEMBL12840777

SCHEMBL12840777

CNC1CCCCN(C)C1=O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.40
BRD4 O60885 1/20 0.35
BRD2 P25440 1/20 0.35
IDH1 O75874 1/20 0.35
GRM5 P41594 4/20 0.35
ALDH1A1 P00352 1/20 0.34
IL1B P01584 2/20 0.33
HTR5A P47898 1/20 0.33
NAAA Q02083 1/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 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
SCHEMBL12797531 1.00 NAMPT (0.40) NAMPTBRD4BRD2IDH1GRM5
SCHEMBL14684463 1.00 NAMPT (0.40) NAMPTBRD4BRD2IDH1GRM5
SCHEMBL24677730 0.94 IDH1 (0.39) NAMPTBRD4BRD2IDH1GRM5
SCHEMBL19559437 0.85
SCHEMBL6338704 0.85
SCHEMBL5639368 0.79 ADH1B (0.38) NAMPTBRD4BRD2IDH1GRM5
SCHEMBL5639365 0.79 NAMPT (0.38) NAMPTBRD4BRD2IDH1GRM5
SCHEMBL5639144 0.78 NAMPT (0.47) NAMPTGRM5IL1BNAAA
SCHEMBL12890263 0.78 NAMPT (0.47) NAMPTNAAA
SCHEMBL14169980 0.77 ALDH1A1 (0.40) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2480247-B1 NOVEL NPR-B AGONISTS SHIRE ORPHAN THERAPIES GMBH (DE) 2020-02-12 EP disclosed
US-9822147-B2 Methods of treating ophthalmic diseases using NPR-B agonists SHIRE ORPHAN THERAPIES GMBH (DE) 2017-11-21 US disclosed
US-20170313743-A1 NPR-B Agonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-11-02 US disclosed
US-9745344-B2 NPR-B agonists SHIRE ORPHAN THERAPIES GMBH (DE) 2017-08-29 US disclosed
US-20170101440-A1 METHODS OF TREATING OPHTHALMIC DISEASES USING NPR-B AGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-04-13 US disclosed
US-20160194357-A1 Novel NPR-B Agonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-07-07 US disclosed
US-9187525-B2 Methods of treating ophthalmic diseases using NPR-B agonists SHIRE ORPHAN THERAPIES GMBH (DE) 2015-11-17 US disclosed
US-9169293-B2 NPR-B agonists Shire Orphan Thereapies GmbH (DE) 2015-10-27 US disclosed
US-8551938-B2 NPR-B agonists ALCON RESEARCH, LTD. (US) 2013-10-08 US disclosed
US-20110077381-A1 NOVEL NPR-B AGONISTS ALCON RESEARCH, LTD. (US) 2011-03-31 US disclosed
US-7390801-B2 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting β-amyloid peptide release and/or its synthesis by use of such compounds ATHENA NEUROSCIENCES, INC. (US) 2008-06-24 US disclosed
US-7390801-B2 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting β-amyloid peptide release and/or its synthesis by use of such compounds ATHENA NEUROSCIENCES, INC. (US) 2008-06-24 US disclosed
US-20070203108-A1 Alzheimer's disease; 5-{N'-(4-thianaphthenacetyl)-L-alaninyl}-amino-7-methyl-5,7-dihydro-6H-dibenz[b,d]azepin-6-one THORSETT EUGENE D 2007-08-30 US disclosed
US-20070203108-A1 Alzheimer's disease; 5-{N'-(4-thianaphthenacetyl)-L-alaninyl}-amino-7-methyl-5,7-dihydro-6H-dibenz[b,d]azepin-6-one THORSETT EUGENE D 2007-08-30 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 (5 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-20110077381-A1 NOVEL NPR-B AGONISTS NPR1, NPR3, NPBWR1 NAMPT 1355/4885BRD4 2455/4885BRD2 2728/4885
US-20070203108-A1 Alzheimer's disease; 5-{N'-(4-thianaphthenacetyl)-L-alaninyl}-amino-7-methyl-5,7-dihydro-6H-dibenz[b,d]azepin-6-one APP, BACE1, PSEN1 NAMPT 1516/4885BRD4 2415/4885BRD2 1479/4885
US-20170313743-A1 NPR-B Agonists NPR1, NPR3, NPBWR1 NAMPT 1023/4885BRD4 2331/4885BRD2 2580/4885
US-20160194357-A1 Novel NPR-B Agonists NPR1, NPR3, NPBWR1 NAMPT 1355/4885BRD4 2455/4885BRD2 2728/4885
US-20170101440-A1 METHODS OF TREATING OPHTHALMIC DISEASES USING NPR-B AGONISTS NPR1, EDNRB, NPR3 NAMPT 984/4885BRD4 3497/4885BRD2 3006/4885

“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.