SCHEMBL3631345

SCHEMBL3631345

CC(C)Oc1cc(CO)ccc1CN1c2ccccc2CCC1C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.41
CHRM4 P08173 2/20 0.41
CHRM1 P11229 2/20 0.41
ADRA1D P25100 3/20 0.40
ADRA1A P35348 3/20 0.40
CHRM3 P20309 1/20 0.40
ADRA1B P35368 2/20 0.38
HTR1A P08908 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
XIAP P98170 2/20 0.35
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MTNR1A P48039 3/20 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
SCHEMBL3631584 0.84 CHRM2 (0.42) CHRM2CHRM4CHRM1CHRM3MEN1
SCHEMBL3628997 0.82 CHRM2 (0.40) CHRM2CHRM4CHRM1ADRA1DADRA1A
SCHEMBL3632174 0.82 MEN1 (0.45) CHRM2CHRM4CHRM1ADRA1DADRA1A
SCHEMBL2828529 0.82 CHRM2 (0.40) CHRM2CHRM4CHRM1CHRM3MEN1
SCHEMBL3629943 0.77 FFAR1 (0.44)
SCHEMBL3630898 0.77 FFAR1 (0.44)
SCHEMBL3630901 0.76 FFAR1 (0.37) CHRM2CHRM4CHRM1ADRA1DADRA1A
SCHEMBL3623890 0.75 FFAR1 (0.38) ADRA1A
SCHEMBL22262519 0.70 MTNR1A (0.56) CHRM2CHRM4CHRM1CHRM3DRD2
SCHEMBL22262517 0.70 MTNR1A (0.56) CHRM2CHRM4CHRM1CHRM3DRD2

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 CHRM2 1179/4885CHRM4 1269/4885CHRM1 1027/4885

“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.