SCHEMBL4556659

SCHEMBL4556659

NC(c1ccccc1)C1(O)CCCC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
CHRM2 P08172 2/20 0.41
CHRM1 P11229 2/20 0.41
CHRM3 P20309 2/20 0.41
DPP4 P27487 2/20 0.41
F2 P00734 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
OPRL1 P41146 1/20 0.40
CHRM4 P08173 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2C P18825 1/20 0.38

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
SCHEMBL1153684 1.00 LMNA (0.41) LMNACHRM2CHRM1CHRM3DPP4
SCHEMBL8622210 1.00 LMNA (0.41) LMNACHRM2CHRM1CHRM3DPP4
SCHEMBL1153253 0.98 CHRM2 (0.40) LMNACHRM2CHRM1CHRM3DPP4
SCHEMBL4441548 0.98 CHRM2 (0.40) LMNACHRM2CHRM1CHRM3DPP4
SCHEMBL7101907 0.98 CHRM2 (0.40) LMNACHRM2CHRM1CHRM3DPP4
SCHEMBL7105607 0.98 CHRM2 (0.40) LMNACHRM2CHRM1CHRM3DPP4
SCHEMBL1152738 0.96 DPP4 (0.41) LMNACHRM2CHRM1CHRM3DPP4
SCHEMBL6570495 0.96 DPP4 (0.41) LMNACHRM2CHRM1CHRM3DPP4
SCHEMBL16965781 0.96 DPP4 (0.41) LMNACHRM2CHRM1CHRM3DPP4
SCHEMBL18793693 0.91 DPP4 (0.44) LMNADPP4F2OPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2900223-B1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME (US) 2017-10-25 EP disclosed
EP-2900223-B1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME (US) 2017-10-25 EP disclosed
US-20160130278-A1 GLYCINE TRANSPORTER INHIBITOR TAISHO PHARMACEUTICAL CO., LTD (JP) 2016-05-12 US disclosed
EP-3009421-A1 GLYCINE TRANSPORTER INHIBITOR Taisho Pharmaceutical Co., Ltd. (JP) 2016-04-20 EP disclosed
US-9226922-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-05 US disclosed
US-9226922-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-05 US disclosed
US-9226922-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-05 US disclosed
US-20150258074-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-09-17 US disclosed
US-20150258074-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-09-17 US disclosed
US-20150258074-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-09-17 US disclosed
US-6410741-B1 INSECTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-06-25 US disclosed
EP-0735142-B1 Process for producing (R)-styrene oxides SUMIKA FINE CHEMICALS CO LTD (JP) 2001-10-24 EP disclosed
US-20010027162-A1 Transition metal compound, catalyst component for olefin polymerization, catalyst for olefin polymerization, and process for producing olefinic polymer HIRAHATA WATARU (JP) 2001-10-04 US disclosed
US-6242377-B1 POLYMERIZATION IN PRESENCE OF BISOXAZOLINE WITH NICKEL, COBALT, PALLADIUM, RHODIUM, RUTHENIUM, ALUMINUM AND BORON COMPLEXES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-06-05 US disclosed
US-6072081-A Optically active bisoxazoline compounds, production and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-06-06 US disclosed
EP-0942010-A1 Transition metal compounds, catalyst components and catalysts for olefin polymerization, and process for producing olefinic polymers SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-09-15 EP disclosed
EP-0895992-A2 Copper complexes of optically active bisoxazolines as enantioselective catalysts in cyclopropanation reactions SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-02-10 EP disclosed
EP-0713880-B1 Stereoselective reduction of 17-ketosteroids JENAPHARM GMBH (DE) 1998-06-10 EP disclosed
US-5717116-A TREATING A MIXTURE OF PHENYLHALOGENOMETHYLCARBINOLS WITH A LIPASE IN THE PRESENCE OF A CARBOXYLATE FOLLOWED BY CYCLIZATION WITH A BASE SUMIKA FINE CHEMICALS COMPANY, LIMITED (JP) 1998-02-10 US disclosed
EP-0735142-A2 Process for producing (R)-styrene oxides SUMIKA FINE CHEMICAL COMPANY, LTD. (JP) 1996-10-02 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 (2 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-20160130278-A1 GLYCINE TRANSPORTER INHIBITOR SLC1A2, SLC6A5, SLC18A2 LMNA 3832/4885CHRM2 2061/4885CHRM1 1446/4885
US-20150258074-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAPK4, MAP3K20 LMNA 4615/4885CHRM2 4148/4885CHRM1 4079/4885

“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.