SCHEMBL6901708

SCHEMBL6901708

CCOC(=O)C(C)Cc1ccc(F)c(N)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.41
PPARG P37231 2/20 0.41
KCNQ2 O43526 2/20 0.39
KCNQ3 O43525 1/20 0.39
KCNQ4 P56696 1/20 0.39
KCNQ5 Q9NR82 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 4/20 0.36
PPID Q08752 2/20 0.36
HSD17B10 Q99714 4/20 0.36
ALOX15 P16050 3/20 0.35
PPIB P23284 1/20 0.35
PPIA P62937 1/20 0.35
PPIG Q13427 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 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
SCHEMBL1930974 1.00 EPHX2 (0.41) EPHX2PPARGKCNQ2KCNQ3KCNQ4
SCHEMBL1931788 1.00 EPHX2 (0.41) EPHX2PPARGKCNQ2KCNQ3KCNQ4
SCHEMBL25218960 0.87 ALDH1A1 (0.47) EPHX2PPARGKDM4EALDH1A1ALOX15
SCHEMBL31067887 0.87 ALDH1A1 (0.47) EPHX2PPARGKDM4EALDH1A1ALOX15
SCHEMBL18455307 0.84 KCNQ2 (0.36) KCNQ2KCNQ3KCNQ4KCNQ5NPC1
SCHEMBL6900583 0.84 SMN1; SMN2 (0.43) EPHX2PPARGNPC1RAB9ASMN1; SMN2
SCHEMBL1903863 0.84 SMN1; SMN2 (0.43) EPHX2PPARGNPC1RAB9ASMN1; SMN2
SCHEMBL1907908 0.84 SMN1; SMN2 (0.43) EPHX2PPARGNPC1RAB9ASMN1; SMN2
SCHEMBL12035915 0.82 EPHX2 (0.43) EPHX2PPARGNPC1RAB9ASMN1; SMN2
SCHEMBL28009302 0.82 PLA2G10 (0.42) KDM4EHSD17B10ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104470895-B The purposes of N [3 (2 carboxy ethyl) phenyl] piperidinyl-1 yl acetamide derivatives and its activator as soluble guanylate cyclase 拜耳制药股份公司 2017-04-05 CN disclosed
EP-2852573-B1 N-[3-(2-CARBOXYETHYL)PHENYL]-PIPERIDIN-1-YL ACETAMIDE DERIVATIVES AND THEIR USE AS ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE Bayer Pharma AG (DE) 2017-02-01 EP disclosed
US-9309198-B2 N-[3-(2-carboxyethyl)phenyl]piperidin-1-ylacetamide derivatives and use thereof as activators of soluble guanylate cyclase BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-04-12 US disclosed
US-9309198-B2 N-[3-(2-carboxyethyl)phenyl]piperidin-1-ylacetamide derivatives and use thereof as activators of soluble guanylate cyclase BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-04-12 US disclosed
US-20150152050-A1 N-[3-(2-CARBOXYETHYL)PHENYL]PIPERIDIN-1-YLACETAMIDE DERIVATIVES AND USE THEREOF AS ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-06-04 US disclosed
US-20150152050-A1 N-[3-(2-CARBOXYETHYL)PHENYL]PIPERIDIN-1-YLACETAMIDE DERIVATIVES AND USE THEREOF AS ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-06-04 US disclosed
US-9018414-B2 Substituted 3-phenylpropionic acids and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-28 US disclosed
US-9018414-B2 Substituted 3-phenylpropionic acids and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-28 US disclosed
CN-104470895-A N-[3-(2-carboxyethyl)phenyl]piperidin-1-ylacetamide derivatives and use thereof as activators of soluble guanylate cyclase Bayer Pharma AG 2015-03-25 CN disclosed
CN-102712577-B Substituted 3-phenylpropionic acids and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-10-15 CN disclosed
US-20140142069-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-05-22 US disclosed
US-20140142069-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-05-22 US disclosed
CN-102712577-A Substituted 3-phenylpropionic acids and the use thereof BAYER SCHERING PHARMA AG 2012-10-03 CN disclosed
US-20110130445-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-06-02 US disclosed
US-20110130445-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-06-02 US disclosed
WO-2011051165-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-05-05 WO 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 (3 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-20150152050-A1 N-[3-(2-CARBOXYETHYL)PHENYL]PIPERIDIN-1-YLACETAMIDE DERIVATIVES AND USE THEREOF AS ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE GUCY1A2, GUCY1A1, GUCY1B2 EPHX2 1704/4885PPARG 314/4885KCNQ2 2137/4885
US-20140142069-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF FABP3, PC, PAH EPHX2 2324/4885PPARG 15/4885KCNQ2 2791/4885
US-20110130445-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF FABP3, PC, PAH EPHX2 2324/4885PPARG 15/4885KCNQ2 2791/4885

“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.