SCHEMBL1904331

SCHEMBL1904331

CC(C)(C)OC(=O)CC(c1cccc(N)c1)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CPN1 P15169 1/20 0.40
CPB2 Q96IY4 1/20 0.40
ADRB2 P07550 2/20 0.37
ADRB1 P08588 2/20 0.37
ADRB3 P13945 2/20 0.37
CYP2D6 P10635 1/20 0.35
FFAR1 O14842 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
OPRK1 P41145 1/20 0.34
NR1H2 P55055 1/20 0.34
SLC7A5 Q01650 1/20 0.34
PTPRC P08575 2/20 0.33
CASR P41180 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
SCHEMBL27525607 0.82 CPN1 (0.42) CPN1CPB2ADRB2ADRB1ADRB3
SCHEMBL1932025 0.80 CPN1 (0.49) CPN1CPB2FFAR1OPRK1
SCHEMBL7357838 0.80 CPN1 (0.40) CPN1CPB2ADRB2ADRB1ADRB3
SCHEMBL27494782 0.80 GABBR2 (0.42) CPN1CPB2ADRB2ADRB1ADRB3
SCHEMBL6902296 0.80 NPC1 (0.37)
SCHEMBL1904197 0.80 NPC1 (0.37)
SCHEMBL1905236 0.80 NPC1 (0.37)
SCHEMBL27534162 0.78 F10 (0.42) CPN1CPB2ADRB2ADRB1ADRB3
SCHEMBL6163551 0.78 CPN1 (0.39) CPN1CPB2ADRB2ADRB1ADRB3
SCHEMBL7336123 0.73 CPN1 (0.43) CPN1CPB2ADRB2ADRB1ADRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
EP-2493845-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF Bayer Pharma Aktiengesellschaft (DE) 2012-09-05 EP 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
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 (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-20140142069-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF FABP3, PC, PAH CPN1 2200/4885CPB2 328/4885ADRB2 224/4885
US-20110130445-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF FABP3, PC, PAH CPN1 2200/4885CPB2 328/4885ADRB2 224/4885

“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.