SCHEMBL3208707

SCHEMBL3208707

O=C(NCCO)c1cccc(-c2cccc3cc(OCc4cccc(C(F)(F)F)c4)nn23)c1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 11/20 0.57
MRGPRX4 Q96LA9 2/20 0.53
FYN P06241 6/20 0.48
CAMK2D Q13557 1/20 0.44

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
SCHEMBL1852563 0.87 NR4A2 (0.56) MRGPRX4
Water SCHEMBL1854715 0.85 NR4A2 (0.54) MRGPRX4
Water SCHEMBL1854716 0.85 NR4A2 (0.54) MRGPRX4
SCHEMBL1854941 0.83 BRAF (0.46) MRGPRX4
SCHEMBL3209898 0.77 GPR52 (0.55) GPR52
SCHEMBL961978 0.73 GPR52 (1.00) GPR52MRGPRX4
SCHEMBL3514281 0.71 POLB (0.76) GPR52MRGPRX4
SCHEMBL22481028 0.69 MRGPRX4 (1.00) MRGPRX4
SCHEMBL3207056 0.69 GPR52 (1.00) GPR52MRGPRX4
SCHEMBL3217438 0.69 GPR52 (1.00) GPR52MRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1/4885MRGPRX4 287/4885FYN 1500/4885

“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.