SCHEMBL3629943

SCHEMBL3629943

CC(C)Oc1cc(CNc2ccc(CCC(=O)O)c(F)c2)ccc1CN1c2ccccc2CCC1C

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 10/20 0.44
FFAR4 Q5NUL3 4/20 0.44
P2RX3 P56373 1/20 0.39
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
HSD17B3 P37058 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
SCHEMBL3630898 0.99 FFAR1 (0.44) FFAR1FFAR4P2RX3RXRARXRB
SCHEMBL3630901 0.93 FFAR1 (0.37) FFAR1FFAR4P2RX3HSD17B3
SCHEMBL3623890 0.92 FFAR1 (0.38) FFAR1FFAR4P2RX3
SCHEMBL3631746 0.89 FFAR1 (0.44) FFAR1FFAR4RXRARXRBRXRG
SCHEMBL3631083 0.88 FFAR1 (0.43) FFAR1FFAR4RXRARXRBRXRG
SCHEMBL3631085 0.82 FFAR1 (0.36) FFAR1FFAR4HSD17B3
SCHEMBL3631920 0.81 FFAR1 (0.37) FFAR1FFAR4P2RX3
SCHEMBL3628769 0.77 FFAR1 (0.45) FFAR1FFAR4P2RX3
SCHEMBL3631345 0.77 CHRM2 (0.41)
SCHEMBL3631552 0.77 FFAR1 (0.44) FFAR1FFAR4P2RX3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7786165-B2 Aminophenylpropanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-31 US disclosed
US-7786165-B2 Aminophenylpropanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-31 US disclosed
US-7786165-B2 Aminophenylpropanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-31 US disclosed
US-20080269220-A1 Aminophenylpropanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-30 US disclosed
US-20080269220-A1 Aminophenylpropanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-30 US disclosed
US-20080269220-A1 Aminophenylpropanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-30 US disclosed
EP-1726580-A1 AMINOPHENYLPROPANOIC ACID DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2006-11-29 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-20080269220-A1 Aminophenylpropanoic Acid Derivative GPR119, GPR55, GPR65 FFAR1 5/4885FFAR4 18/4885P2RX3 163/4885

“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.