SCHEMBL10131967

SCHEMBL10131967

CNc1cccc(CC(C)=O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NEK2 P51955 1/20 0.43
NR1H4 Q96RI1 1/20 0.42
SELP P16109 1/20 0.41
SELE P16581 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HPSE Q9Y251 1/20 0.41
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 2/20 0.39
TSHR P16473 1/20 0.39
EPHX2 P34913 1/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
USP2 O75604 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39

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
SCHEMBL3104224 0.85 NR1H4 (0.56) NR1H4SELPSELEHPSEKMT2A
SCHEMBL14148255 0.84 CSNK2A1 (0.48) NEK2NR1H4SELPSELEHPSE
SCHEMBL10391003 0.84 ALDH1A1 (0.58) NPSR1KMT2ASMN1; SMN2L3MBTL1MAPT
SCHEMBL11509820 0.83 HPSE (0.50) NR1H4SELPSELENPSR1HPSE
SCHEMBL693860 0.82 SLC7A5 (0.54) KMT2ASMN1; SMN2LMNAHTTMAPT
SCHEMBL12472792 0.82 MAPT (0.51) NEK2NR1H4NPSR1KMT2ALMNA
SCHEMBL10754184 0.82 ALDH1A1 (0.56) SMN1; SMN2LMNAHTTMAPTHDAC1
SCHEMBL6509671 0.82 ALDH1A1 (0.46) SLC7A5POLB
SCHEMBL21700167 0.81 APP (0.37) NR1H4SELPSELENPSR1HPSE
SCHEMBL22317162 0.81 NEK2 (0.46) NEK2NR1H4SELPSELEHPSE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111153816-A Preparation method of tomoxetine 北京万全德众医药生物技术有限公司 2020-05-15 CN disclosed
CN-111153816-A Preparation method of tomoxetine 北京万全德众医药生物技术有限公司 2020-05-15 CN disclosed
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-8101186-B2 Peptides that block the binding of IgG to FcRn SYNTONIX PHARMACEUTICALS, INC. (US) 2012-01-24 US disclosed
US-20110230639-A1 IMMUNOMODULATORY PEPTIDES SYNTONIX PHARMACEUTICALS INC. (US) 2011-09-22 US disclosed
US-20110059889-A1 PEPTIDES THAT BLOCK THE BINDING OF IgG TO FcRn SYNTONIX PHARMACEUTICALS, INC. 2011-03-10 US disclosed
US-7759459-B2 Fluorescent assays for protein kinases ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2010-07-20 US disclosed
US-7759459-B2 Fluorescent assays for protein kinases ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2010-07-20 US disclosed
WO-2009020867-A2 IMMUNOMODULATORY PEPTIDES SYNTONIX PHARMACEUTICALS, INC. (US) 2009-02-12 WO disclosed
US-20080064643-A1 Myd88 Homodimerization Inhibitors SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2008-03-13 US disclosed
US-20080064643-A1 Myd88 Homodimerization Inhibitors SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2008-03-13 US disclosed
US-20070254831-A1 PEPTIDES THAT BLOCK THE BINDING OF IgG to FcRn BIOGEN HEMOPHILIA INC. 2007-11-01 US disclosed
US-20070254831-A1 PEPTIDES THAT BLOCK THE BINDING OF IgG to FcRn BIOGEN HEMOPHILIA INC. 2007-11-01 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 (7 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-20170313743-A1 NPR-B Agonists NPR1, NPR3, NPBWR1 NEK2 1215/4885NR1H4 449/4885SELP 1628/4885
US-20110059889-A1 PEPTIDES THAT BLOCK THE BINDING OF IgG TO FcRn FCGRT, FCGR3B, FCGR1A NEK2 4730/4885NR1H4 1159/4885SELP 48/4885
US-20160194357-A1 Novel NPR-B Agonists NPR1, NPR3, NPBWR1 NEK2 1314/4885NR1H4 617/4885SELP 1705/4885
US-20070254831-A1 PEPTIDES THAT BLOCK THE BINDING OF IgG to FcRn FCGRT, FCGR3B, FCGR1A NEK2 4730/4885NR1H4 1159/4885SELP 48/4885
US-20170101440-A1 METHODS OF TREATING OPHTHALMIC DISEASES USING NPR-B AGONISTS NPR1, EDNRB, NPR3 NEK2 2133/4885NR1H4 431/4885SELP 1839/4885
US-20080064643-A1 Myd88 Homodimerization Inhibitors MYD88, TLR4, TLR6 NEK2 3445/4885NR1H4 1101/4885SELP 2763/4885
US-20110230639-A1 IMMUNOMODULATORY PEPTIDES FCGRT, FCGR3B, FCGR2A NEK2 4867/4885NR1H4 2124/4885SELP 30/4885

“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.