SCHEMBL1006029

SCHEMBL1006029

CC(N)c1cc(F)cc(Br)c1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.36
IDO1 P14902 3/20 0.36
TDO2 P48775 3/20 0.36
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
ADRB2 P07550 1/20 0.32
DPP4 P27487 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
PDE2A O00408 1/20 0.31

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
SCHEMBL20145485 1.00 GBA1 (0.36) GBA1IDO1TDO2CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL31226763 0.98 IDO1 (0.39) GBA1IDO1TDO2CHRNB4CHRNA3
SCHEMBL1728961 0.84 IDO1 (0.42) GBA1IDO1TDO2ADRB2PDE2A
SCHEMBL557913 0.84 IDO1 (0.42) GBA1IDO1TDO2ADRB2PDE2A
SCHEMBL4826929 0.84 ADRB2 (0.39) IDO1TDO2ADRB2GABRA1GABRB1
SCHEMBL4837352 0.84 ADRB2 (0.39) IDO1TDO2ADRB2GABRA1GABRB1
SCHEMBL1004099 0.84 IDO1 (0.42) GBA1IDO1TDO2ADRB2PDE2A
SCHEMBL4826922 0.84 ADRB2 (0.39) IDO1TDO2ADRB2GABRA1GABRB1
SCHEMBL12263051 0.82 GABRA1 (0.38) IDO1TDO2CHRNB4CHRNA3GABRA1
Hydrochloric Acid SCHEMBL1876903 0.81 IDO1 (0.45) GBA1IDO1TDO2ADRB2PDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110039892-A1 IMINOPYRIDINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-17 US disclosed
EP-2269989-A1 IMINOPYRIDINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2011-01-05 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-20110039892-A1 IMINOPYRIDINE DERIVATIVE AND USE THEREOF ADRA1D, ADRB1, ADRB2 GBA1 3474/4885IDO1 62/4885TDO2 2950/4885

“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.