SCHEMBL7010399

SCHEMBL7010399

c1ccc2ncc(CC3=NCCN3)cc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.65
CYP2D6 P10635 3/20 0.65
NFKB1 P19838 1/20 0.65
LMNA P02545 2/20 0.58
ADRA2A P08913 2/20 0.58
ADRA2B P18089 2/20 0.58
ADRA2C P18825 2/20 0.58
ADRA1A P35348 2/20 0.58
CYP1A2 P05177 2/20 0.58
TSHR P16473 1/20 0.58
ADRA1D P25100 1/20 0.58
ADRA1B P35368 1/20 0.58
NISCH Q9Y2I1 4/20 0.56
MAPK1 P28482 2/20 0.50
HTR1B P28222 2/20 0.50
HTR1A P08908 1/20 0.50
MAPT P10636 1/20 0.50
OPRM1 P35372 1/20 0.50
HTR1D P28221 2/20 0.48
MAOA P21397 1/20 0.45

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
SCHEMBL7008892 0.92 TAAR1 (0.55) TAAR1CYP2D6NFKB1LMNAADRA2A
SCHEMBL953099 0.79 TAAR1 (1.00) TAAR1CYP2D6NFKB1LMNAADRA2A
Hydrochloric Acid SCHEMBL8152596 0.78 TAAR1 (0.97) TAAR1CYP2D6NFKB1LMNAADRA2A
Tolazoline SCHEMBL34961 0.74 TAAR1 (1.00) TAAR1CYP2D6NFKB1LMNAADRA2A
SCHEMBL6933468 0.73 PDGFRB (0.53) CYP1A2MAPTMAOAMAOB
Tolazoline SCHEMBL28254903 0.73 TAAR1 (0.96) TAAR1CYP2D6NFKB1LMNAADRA2A
Tolazoline SCHEMBL5053858 0.73 TAAR1 (1.00) TAAR1CYP2D6NFKB1LMNAADRA2A
Tolazoline SCHEMBL9614505 0.73 TAAR1 (1.00) TAAR1CYP2D6NFKB1LMNAADRA2A
Tolazoline SCHEMBL34869 0.73 TAAR1 (1.00) TAAR1CYP2D6NFKB1LMNAADRA2A
SCHEMBL10780313 0.72 TAAR1 (0.55) TAAR1CYP2D6NFKB1LMNAADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030100769-A1 Cyclic amidine compounds DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2003-05-29 US claimed
EP-1280793-A2 CYCLIC AMIDINE COMPOUNDS AND THEIR USE AS ALPHA4BETA2 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS SUNTORY LIMITED (JP) 2003-02-05 EP claimed
WO-2001081334-A2 CYCLIC AMIDINE COMPOUNDS AND THEIR USE AS ALPHA4BETA2 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS SUNTORY LIMITED (JP) 2001-11-01 WO claimed
US-20030100769-A1 Cyclic amidine compounds DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2003-05-29 US disclosed
EP-1280793-A2 CYCLIC AMIDINE COMPOUNDS AND THEIR USE AS ALPHA4BETA2 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS SUNTORY LIMITED (JP) 2003-02-05 EP disclosed
WO-2001081334-A2 CYCLIC AMIDINE COMPOUNDS AND THEIR USE AS ALPHA4BETA2 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS SUNTORY LIMITED (JP) 2001-11-01 WO 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-20030100769-A1 Cyclic amidine compounds CHRM1, CHRM5, CCKAR TAAR1 65/4885CYP2D6 1900/4885NFKB1 4588/4885

“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.