SCHEMBL3209952

SCHEMBL3209952

O=C(NC(CO)CO)c1cccc(-c2cccc3cc(Cc4cccc(C(F)(F)F)c4)oc23)c1

nearest known ligand 0.76

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 14/20 0.76
PIN1 Q13526 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
ALDH1A1 P00352 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.39
TACR1 P25103 1/20 0.38

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
SCHEMBL1855458 0.94 GPR52 (0.69) GPR52PIN1TAS1R3TAS1R1ALDH1A1
SCHEMBL1851771 0.86 GPR52 (1.00) GPR52MRGPRX4
SCHEMBL1849964 0.85 GPR52 (0.75) GPR52ALDH1A1MRGPRX4
SCHEMBL1846506 0.82 GPR52 (0.81) GPR52ALDH1A1
SCHEMBL3206803 0.82 GPR52 (0.81) GPR52ALDH1A1
SCHEMBL3209943 0.80 GPR52 (0.79) GPR52ALDH1A1
SCHEMBL1856609 0.80 GPR52 (0.79) GPR52ALDH1A1
SCHEMBL1852519 0.80 GPR52 (0.68) GPR52ALDH1A1MRGPRX4
SCHEMBL3213465 0.77 GPR52 (0.62) GPR52
SCHEMBL1848289 0.77 GPR52 (0.81) GPR52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010018874-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 WO disclosed
US-20100041891-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 US disclosed
US-20100041891-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 US disclosed
US-20100041891-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 US 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-20100041891-A1 AMIDE COMPOUND GPR52, GPR132, NR5A2 GPR52 1/4885PIN1 4374/4885TAS1R3 1244/4885

“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.