SCHEMBL13620120

SCHEMBL13620120

C1CCCN(C[C@@H]2CCCN2)CCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 2/20 0.46
ADRA2C P18825 2/20 0.46
HTR1A P08908 2/20 0.44
HTR2A P28223 2/20 0.44
KCNH2 Q12809 2/20 0.44
HTR1D P28221 1/20 0.44
HRH1 P35367 1/20 0.44
ADRA1B P35368 1/20 0.44
CACNA2D1 P54289 1/20 0.40
CACNA1B Q00975 1/20 0.40
CACNB1 Q02641 1/20 0.40
CYP2D6 P10635 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
MLNR O43193 1/20 0.38

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
SCHEMBL10326687 1.00 CHRM5 (0.46) CHRM5ADRA2CHTR1AHTR2AKCNH2
SCHEMBL10326492 1.00 CHRM5 (0.46) CHRM5ADRA2CHTR1AHTR2AKCNH2
SCHEMBL5219148 1.00 CHRM5 (0.46) CHRM5ADRA2CHTR1AHTR2AKCNH2
SCHEMBL1995891 1.00 CHRM5 (0.46) CHRM5ADRA2CHTR1AHTR2AKCNH2
SCHEMBL552106 1.00 CHRM5 (0.46) CHRM5ADRA2CHTR1AHTR2AKCNH2
SCHEMBL2387767 1.00 CHRM5 (0.46) CHRM5ADRA2CHTR1AHTR2AKCNH2
Hydrochloric Acid SCHEMBL1190644 0.98 CHRM5 (0.45) CHRM5ADRA2CHTR1AHTR2AKCNH2
SCHEMBL255277 0.98 HTR1A (0.45) CHRM5ADRA2CHTR1AHTR2AKCNH2
SCHEMBL16716869 0.98 HTR1A (0.45) CHRM5ADRA2CHTR1AHTR2AKCNH2
SCHEMBL488775 0.98 HTR1A (0.45) CHRM5ADRA2CHTR1AHTR2AKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090281346-A1 METHOD FOR THE PRODUCTION OF CHIRAL AMINOCARBONYL COMPOUNDS STUDIENGESELLSCHAFT KOHLE MBH (DE) 2009-11-12 US disclosed
US-20090281346-A1 METHOD FOR THE PRODUCTION OF CHIRAL AMINOCARBONYL COMPOUNDS STUDIENGESELLSCHAFT KOHLE MBH (DE) 2009-11-12 US disclosed
WO-2008009275-A1 METHOD FOR THE PRODUCTION OF CHIRAL AMINOCARBONYL COMPOUNDS STUDIENGESELLSCHAFT KOHLE MBH (DE) 2008-01-24 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-20090281346-A1 METHOD FOR THE PRODUCTION OF CHIRAL AMINOCARBONYL COMPOUNDS AOC3, AOC2, AOC1 CHRM5 2899/4885ADRA2C 489/4885HTR1A 827/4885

“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.