SCHEMBL3629474

SCHEMBL3629474

CC(C)COc1ccc(C=O)cc1CN1c2ccccc2C=CC1(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.40
ALDH1A1 P00352 9/20 0.35
P2RX4 Q99571 1/20 0.34
MAPT P10636 3/20 0.33
HTT P42858 2/20 0.33
PKM P14618 1/20 0.33
TSHR P16473 1/20 0.33
PTGER1 P34995 2/20 0.33
NPSR1 Q6W5P4 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
HIF1A Q16665 1/20 0.32
AKR1C3 P42330 1/20 0.32
PDE4B Q07343 1/20 0.31
IGF1R P08069 1/20 0.31
THRB P10828 1/20 0.31
GPR55 Q9Y2T6 1/20 0.31
TP53 P04637 1/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL3628500 0.83 PTGER1 (0.38) ALDH1A1P2RX4MAPTHTTPKM
SCHEMBL3632677 0.82 RXFP1 (0.35) RXFP1ALDH1A1MAPTHTTTSHR
SCHEMBL2829887 0.69 CHRM2 (0.39) RXFP1ALDH1A1MAPTHTTPKM
SCHEMBL2824800 0.69 ALDH1A1 (0.48) ALDH1A1MAPTTSHRNPSR1HIF1A
SCHEMBL3629881 0.68 ALDH1A1 (0.46) RXFP1ALDH1A1MAPTHTTNPSR1
SCHEMBL5448983 0.67 FDPS (0.46) ALDH1A1MAPTHTTTSHRNPSR1
SCHEMBL2825257 0.67 PTGER1 (0.53) ALDH1A1MAPTHTTPTGER1NPSR1
SCHEMBL2826993 0.67 L3MBTL1 (0.41) RXFP1ALDH1A1MAPTNPC1RAB9A
SCHEMBL3625873 0.67 SLC16A3 (0.42) RXFP1PTGER1TP53POLB
SCHEMBL3630915 0.66 ADRA1D (0.37) SMN1; SMN2THRBGAA

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 RXFP1 292/4885ALDH1A1 495/4885P2RX4 117/4885

“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.