SCHEMBL1745141

SCHEMBL1745141

COC(=O)CCc1ccc(OCc2ccc(N)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.58
FFAR4 Q5NUL3 3/20 0.54
ADRB2 P07550 1/20 0.52
ADRB1 P08588 1/20 0.52
MAOB P27338 4/20 0.51
APP P05067 1/20 0.51
MAPT P10636 2/20 0.50
GAA P10253 1/20 0.50
MAOA P21397 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HTT P42858 1/20 0.50
PARP10 Q53GL7 1/20 0.47
HDAC8 Q9BY41 1/20 0.47

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
SCHEMBL223653 0.87 CYP4F2 (0.50) ADRB2ADRB1MAPTGAAALDH1A1
SCHEMBL15679198 0.87 FFAR1 (0.60) FFAR1FFAR4ADRB2ADRB1MAOB
SCHEMBL1745247 0.87 FFAR1 (0.72) FFAR1FFAR4MAOBRAB9ASMN1; SMN2
SCHEMBL1747136 0.87 FFAR1 (0.72) FFAR1FFAR4MAOBRAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL7282073 0.86 CYP4F2 (0.49) ADRB2ADRB1MAOBMAPTGAA
SCHEMBL4255258 0.85 MAOB (0.60) FFAR1FFAR4ADRB2ADRB1MAOB
SCHEMBL2828491 0.85 FFAR1 (0.71) FFAR1FFAR4ADRB2ADRB1MAOB
SCHEMBL1745397 0.85 FFAR1 (0.58) FFAR1FFAR4ADRB2ADRB1MAPT
SCHEMBL1745363 0.85 FFAR1 (0.58) FFAR1FFAR4ADRB2ADRB1MAPT
SCHEMBL3914764 0.85 FFAR1 (0.54) FFAR1FFAR4RAB9ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1559422-B1 RECEPTOR FUNCTION CONTROLLING AGENT TAKEDA PHARMACEUTICAL (JP) 2014-04-30 EP disclosed
EP-1698624-B1 PHENYLPROPANOIC ACID DERIVATIVES TAKEDA PHARMACEUTICAL (JP) 2012-06-27 EP disclosed
EP-2385032-A1 GPR40 Receptor function regulator Takeda Pharmaceutical Company Limited (JP) 2011-11-09 EP disclosed
US-7960369-B2 Receptor function regulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-14 US disclosed
US-7585880-B2 Phenylpropanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-08 US disclosed
US-7585880-B2 Phenylpropanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-08 US disclosed
US-7585880-B2 Phenylpropanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-08 US disclosed
US-20090012093-A1 Receptor Function Regulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-01-08 US disclosed
US-20070155808-A1 Phenylpropanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-05 US disclosed
US-20070155808-A1 Phenylpropanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-05 US disclosed
US-20070155808-A1 Phenylpropanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-05 US disclosed
EP-1698624-A1 PHENYLPROPANOIC ACID DERIVATIVES Takeda Pharmaceutical Company Limited (JP) 2006-09-06 EP disclosed
EP-1559422-A1 RECEPTOR FUNCTION CONTROLLING AGENT Takeda Pharmaceutical Company Limited (JP) 2005-08-03 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-20090012093-A1 Receptor Function Regulator GPR119, GIPR, INSR FFAR1 33/4885FFAR4 44/4885ADRB2 316/4885
US-20070155808-A1 Phenylpropanoic acid derivatives GPR119, GPR55, FFAR1 FFAR1 3/4885FFAR4 7/4885ADRB2 518/4885

“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.