SCHEMBL7012713

SCHEMBL7012713

c1ccc(CC2=NCCCN2)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 7/20 0.49
▸ CYP2D6 P10635 3/20 0.49
▸ TSHR P16473 2/20 0.49
▸ LMNA P02545 2/20 0.49
▸ ADRA2A P08913 2/20 0.49
▸ ADRA2B P18089 2/20 0.49
▸ ADRA2C P18825 2/20 0.49
▸ ADRA1A P35348 2/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ ADRA1D P25100 1/20 0.49
▸ ADRA1B P35368 1/20 0.49
▸ MEN1 O00255 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ HTR1D P28221 2/20 0.43
▸ HTR1B P28222 1/20 0.43
▸ NISCH Q9Y2I1 3/20 0.42
▸ GAA P10253 1/20 0.42
▸ MAPK1 P28482 2/20 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
SCHEMBL11597510 0.77 TAAR1 (0.79) TAAR1CYP2D6TSHRLMNAADRA2A
SCHEMBL11632111 0.76 ADRA1A (0.53) TAAR1CYP2D6TSHRLMNAADRA2A
Hydrochloric Acid SCHEMBL11170308 0.76 TAAR1 (0.80) TAAR1CYP2D6TSHRLMNAADRA2A
SCHEMBL7013543 0.73 TAAR1 (0.46) TAAR1CYP2D6TSHRLMNAADRA2A
SCHEMBL29830938 0.71 L3MBTL1 (0.59) TAAR1TSHRLMNAALDH1A1SMN1; SMN2
SCHEMBL41191 0.71 L3MBTL1 (0.59) TAAR1TSHRLMNAALDH1A1SMN1; SMN2
SCHEMBL7005260 0.70 TAAR1 (0.58) TAAR1CYP2D6TSHRLMNAADRA2A
SCHEMBL21519443 0.70 TAAR1 (0.81) TAAR1CYP2D6TSHRLMNAADRA2A
SCHEMBL7008892 0.69 TAAR1 (0.55) TAAR1CYP2D6TSHRLMNAADRA2A
SCHEMBL11884449 0.69 NISCH (0.80) TAAR1CYP2D6TSHRLMNAADRA2A

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 1900/4885TSHR 31/4885

“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.

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