SCHEMBL4501976

SCHEMBL4501976

CCOC(=O)c1cc(COc2cccc(F)c2)ccn1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.55
MAOB P27338 10/20 0.51
NR4A2 P43354 2/20 0.49
KDM4E B2RXH2 1/20 0.47
MAOA P21397 2/20 0.46
GABRA1 P14867 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
GABRA2 P47869 1/20 0.46
MMP13 P45452 2/20 0.45
CYP1A2 P05177 1/20 0.43
PARP10 Q53GL7 1/20 0.43
FFAR1 O14842 1/20 0.43
MAPT P10636 1/20 0.42

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
SCHEMBL4508058 0.86 MAOB (0.51) MAOBNR4A2MAOAGABRA1GABRG2
SCHEMBL4500448 0.84 NR4A2 (0.61) MRGPRX4MAOBNR4A2MAOAPARP10
SCHEMBL4499558 0.80 MRGPRX4 (0.50) MRGPRX4GABRA1GABRG2GABRB3GABRA5
SCHEMBL4504246 0.79 MRGPRX4 (0.56) MRGPRX4CYP1A2MAPT
SCHEMBL16872244 0.79 CYP1A2 (0.50) KDM4EGABRA1GABRG2GABRB3GABRA5
SCHEMBL15932302 0.79 RAB9A (0.53) MRGPRX4KDM4EMAPT
SCHEMBL4513766 0.76 MAPT (0.48) MRGPRX4MAOBKDM4ECYP1A2FFAR1
SCHEMBL10552186 0.75 MRGPRX4 (0.50) MRGPRX4MAOBNR4A2KDM4EMAOA
SCHEMBL2935704 0.75 CYP1A2 (0.49) KDM4EGABRA1GABRG2GABRB3GABRA5
SCHEMBL4517687 0.75 MAPT (0.63) MRGPRX4KDM4ECYP1A2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090325956-A1 Aromatic amine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-31 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-20090325956-A1 Aromatic amine derivative and use thereof SCD, SCD5, SMS MRGPRX4 1550/4885MAOB 457/4885NR4A2 1838/4885

“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.