SCHEMBL4499558

SCHEMBL4499558

CCOC(=O)c1cc(COc2ccccc2F)ccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 3/20 0.50
MAPT P10636 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
GABRA1 P14867 4/20 0.43
GABRG2 P18507 4/20 0.43
GABRB3 P28472 4/20 0.43
GABRA5 P31644 4/20 0.43
GABRA3 P34903 4/20 0.43
GABRA2 P47869 4/20 0.43
GABRP O00591 3/20 0.43
GABRD O14764 3/20 0.43
GABRB1 P18505 3/20 0.43
GABRB2 P47870 3/20 0.43
GABRA4 P48169 3/20 0.43
GABRE P78334 3/20 0.43
GABRA6 Q16445 3/20 0.43
GABRG1 Q8N1C3 3/20 0.43
GABRG3 Q99928 3/20 0.43
GABRQ Q9UN88 3/20 0.43

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
SCHEMBL4517687 0.85 MAPT (0.63) MRGPRX4MAPTNPC1RAB9AALDH1A1
SCHEMBL4499573 0.85 MRGPRX4 (0.53) MRGPRX4MAPTNPC1RAB9AGABRA1
SCHEMBL4505947 0.84 MRGPRX4 (0.55) MRGPRX4MAPTALDH1A1KMT2A
SCHEMBL4512326 0.83 MRGPRX4 (0.63) MRGPRX4NPC1RAB9AKDM5AKDM4C
SCHEMBL4504246 0.82 MRGPRX4 (0.56) MRGPRX4MAPTNPC1RAB9AKDM4C
SCHEMBL4501976 0.80 MRGPRX4 (0.55) MRGPRX4MAPTGABRA1GABRG2GABRB3
SCHEMBL4492301 0.77 MRGPRX4 (0.50) MRGPRX4MAPTNPC1RAB9AGABRA2
SCHEMBL4499409 0.76 MRGPRX4 (0.63) MRGPRX4MAPTNPC1RAB9AALDH1A1
SCHEMBL2935704 0.76 CYP1A2 (0.49) MAPTNPC1RAB9AGABRA1GABRG2
SCHEMBL2010235 0.75 GYS1 (0.54) MAPTNPC1RAB9A

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 1550/4885MAPT 4022/4885NPC1 57/4885

“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.