SCHEMBL3670401

SCHEMBL3670401

CN(C)C(=O)N(C)CCN1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.48
SIGMAR1 Q99720 5/20 0.46
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
L3MBTL1 Q9Y468 1/20 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
SCHEMBL3674260 0.98 SIGMAR1 (0.47) HRH3SIGMAR1ALDH1A1POLBMAPT
SCHEMBL791907 0.82 CHRM2 (0.51) HRH3SIGMAR1ALDH1A1POLBMAPT
SCHEMBL3673101 0.81 GLA (0.46) ALDH1A1MAPT
SCHEMBL25980412 0.80 HRH3 (0.45) HRH3SIGMAR1
SCHEMBL7006254 0.80 CHRM2 (0.53) HRH3SIGMAR1ALDH1A1POLBMAPT
Hydrochloric Acid SCHEMBL2112394 0.79 HRH3 (0.48) HRH3SIGMAR1ALDH1A1POLBMAPT
SCHEMBL14175033 0.78 KMT2A (0.39) HRH3SIGMAR1ALDH1A1POLBMAPT
SCHEMBL7003764 0.78 HRH3 (0.46) HRH3SIGMAR1ALDH1A1POLBMAPT
SCHEMBL22861409 0.78 SIGMAR1 (0.50) HRH3SIGMAR1ALDH1A1POLBMAPT
SCHEMBL26275998 0.78 HRH3 (0.49) HRH3SIGMAR1ALDH1A1POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524898-B2 Proton acceptor iminium/carbocation-type coupling agents LUXEMBOURG BIO TECHNOLOGIES LTD. (IL) 2013-09-03 US disclosed
US-8524898-B2 Proton acceptor iminium/carbocation-type coupling agents LUXEMBOURG BIO TECHNOLOGIES LTD. (IL) 2013-09-03 US disclosed
US-20100144588-A1 PROTON ACCEPTOR IMINIUM/CARBOCATION-TYPE COUPLING AGENTS LUXEMBOURG BIO TECHNOLOGIES LTD. (IL) 2010-06-10 US disclosed
US-20100144588-A1 PROTON ACCEPTOR IMINIUM/CARBOCATION-TYPE COUPLING AGENTS LUXEMBOURG BIO TECHNOLOGIES LTD. (IL) 2010-06-10 US disclosed
US-20100144588-A1 PROTON ACCEPTOR IMINIUM/CARBOCATION-TYPE COUPLING AGENTS LUXEMBOURG BIO TECHNOLOGIES LTD. (IL) 2010-06-10 US disclosed
EP-2170822-A2 PROTON ACCEPTOR IMINIUM/CARBOCATION-TYPE COUPLING AGENTS Luxembourg Bio Technologies Ltd. (IL) 2010-04-07 EP disclosed
WO-2009138985-A2 COUPLING AGENTS FOR THE SYNTHESIS OF POLYPEPTIDES AND POLYNUCLEOTIDES LUXEMBOURG BIO TECHNOLOGIES LTD. (IL) 2009-11-19 WO disclosed
WO-2009138985-A2 COUPLING AGENTS FOR THE SYNTHESIS OF POLYPEPTIDES AND POLYNUCLEOTIDES LUXEMBOURG BIO TECHNOLOGIES LTD. (IL) 2009-11-19 WO disclosed
WO-2008139481-A2 PROTON ACCEPTOR IMINIUM/CARBOCATION-TYPE COUPLING AGENTS LUXEMBOURG BIO TECHNOLOGIES LTD. (IL) 2008-11-20 WO disclosed
WO-2008139481-A2 PROTON ACCEPTOR IMINIUM/CARBOCATION-TYPE COUPLING AGENTS LUXEMBOURG BIO TECHNOLOGIES LTD. (IL) 2008-11-20 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-20100144588-A1 PROTON ACCEPTOR IMINIUM/CARBOCATION-TYPE COUPLING AGENTS PHAX, GIPR, IAPP HRH3 118/4885SIGMAR1 3174/4885ALDH1A1 4716/4885

“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.