SCHEMBL6570495

SCHEMBL6570495

NC(c1ccccc1)C1(O)CCC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.41
F2 P00734 1/20 0.41
OPRM1 P35372 2/20 0.40
OPRD1 P41143 2/20 0.40
OPRK1 P41145 2/20 0.40
OPRL1 P41146 2/20 0.40
LMNA P02545 3/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2C P18825 1/20 0.38
HIF1A Q16665 1/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL16965781 1.00 DPP4 (0.41) DPP4F2OPRM1OPRD1OPRK1
SCHEMBL1152738 1.00 DPP4 (0.41) DPP4F2OPRM1OPRD1OPRK1
SCHEMBL4556659 0.96 LMNA (0.41) DPP4F2OPRM1OPRD1OPRK1
SCHEMBL8622210 0.96 LMNA (0.41) DPP4F2OPRM1OPRD1OPRK1
SCHEMBL1153684 0.96 LMNA (0.41) DPP4F2OPRM1OPRD1OPRK1
SCHEMBL7101907 0.94 CHRM2 (0.40) DPP4F2OPRM1OPRD1OPRK1
SCHEMBL7105607 0.94 CHRM2 (0.40) DPP4F2OPRM1OPRD1OPRK1
SCHEMBL1153253 0.94 CHRM2 (0.40) DPP4F2OPRM1OPRD1OPRK1
SCHEMBL4441548 0.94 CHRM2 (0.40) DPP4F2OPRM1OPRD1OPRK1
SCHEMBL18793693 0.91 DPP4 (0.44) DPP4F2OPRM1OPRD1OPRK1

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 15 patents. 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
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
CN-100436406-C Process for producing optically active bisamidoalcohol compound SUMITOMO CHEMICAL CO (JP) 2008-11-26 CN disclosed
CN-100408553-C Method for producing optically active cycloalkylidenebisoxazoline compound and intermediate of the same SUMITOMO CHEMICAL CO (JP) 2008-08-06 CN disclosed
CN-1898193-A Method for producing optically active bisamidealcohol compound SUMITOMO CHEMICAL CO (JP) 2007-01-17 CN disclosed
CN-1898196-A Process for producing optically active cycloalkylidenebisoxazoline compound and intermediate of the compound SUMITOMO CHEMICAL CO (JP) 2007-01-17 CN disclosed
EP-1156054-B1 DRUGS CONTAINING PHOSPHORIC ACID DERIVATIVES AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2004-04-14 EP disclosed
EP-0942010-B1 Transition metal compounds, catalyst components and catalysts for olefin polymerization, and process for producing olefinic polymer SUMITOMO CHEMICAL CO (JP) 2003-06-18 EP disclosed
US-6500909-B2 CONTAINING NICKEL, PALLADIUM, RHODIUM, RUTHENIUM, OR COBALT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-12-31 US disclosed
US-6495533-B1 TUMOR NECROSIS FACTOR INHIBITORS; RHEUMATOID ARTHRITIS, ULCERATIVE COLITIS, CROHN'S DISEASE, HEPATITIS, SEPSIS, HEMORRHAGIC SHOCK, MULTIPLE SCLEROSIS, CEREBRAL INFARCTION, DIABETES, INTERSTITIAL PNEUMONIA, PAIN, HIV ONO PHARMACEUTICAL CO., LTD. (JP) 2002-12-17 US disclosed
EP-1156054-A1 DRUGS CONTAINING PHOSPHORIC ACID DERIVATIVES AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-11-21 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20150258074-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAPK4, MAP3K20 DPP4 2478/4885F2 4466/4885OPRM1 2974/4885

“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.