SCHEMBL7006044

SCHEMBL7006044

Clc1ncc(CC2=NCCCN2)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 5/20 0.41
HTR1B P28222 3/20 0.41
TAAR1 Q96RJ0 4/20 0.40
CYP1A2 P05177 3/20 0.36
LMNA P02545 3/20 0.36
CYP2D6 P10635 2/20 0.36
TSHR P16473 2/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
NFKB1 P19838 1/20 0.34
HSD17B10 Q99714 1/20 0.34
FTO Q9C0B1 1/20 0.34

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
SCHEMBL7009272 0.90 TAAR1 (0.49) HTR1DHTR1BTAAR1CYP1A2LMNA
SCHEMBL7012293 0.71 NISCH (0.42) LMNATSHRGAA
SCHEMBL7009355 0.71 HTR1D (0.47) HTR1DHTR1BTAAR1CYP1A2LMNA
SCHEMBL7009936 0.70 HTR1D (0.43) HTR1DHTR1BTAAR1CYP1A2LMNA
SCHEMBL21519443 0.68 TAAR1 (0.81) HTR1DHTR1BTAAR1CYP1A2LMNA
SCHEMBL7013543 0.68 TAAR1 (0.46) HTR1DHTR1BTAAR1CYP1A2LMNA
SCHEMBL7009403 0.67 TAAR1 (0.47) HTR1DHTR1BTAAR1CYP1A2LMNA
SCHEMBL11597510 0.65 TAAR1 (0.79) HTR1DHTR1BTAAR1CYP1A2LMNA
SCHEMBL7005260 0.65 TAAR1 (0.58) HTR1DHTR1BTAAR1CYP1A2LMNA
SCHEMBL21519534 0.65 TAAR1 (0.56) HTR1DHTR1BTAAR1CYP1A2LMNA

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 HTR1D 251/4885HTR1B 288/4885TAAR1 65/4885

“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.