SCHEMBL4153806

SCHEMBL4153806

CCN(CC)C(=O)C1CCCCN1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 1/20 0.42
PRCP P42785 2/20 0.41
DPP4 P27487 1/20 0.39
GLI1 P08151 1/20 0.37
DPP7 Q9UHL4 1/20 0.36
ALDH1A1 P00352 1/20 0.36
FDPS P14324 1/20 0.35
NOS2 P35228 2/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 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
SCHEMBL3632516 0.94 SCN4A (0.46) SCN4APRCPDPP4GLI1DPP7
SCHEMBL5048080 0.94 SCN4A (0.46) SCN4APRCPDPP4GLI1DPP7
Hydrochloric Acid SCHEMBL1190797 0.93 SCN4A (0.45) SCN4APRCPDPP4GLI1DPP7
Hydrochloric Acid SCHEMBL15847061 0.93 SCN4A (0.45) SCN4APRCPDPP4GLI1DPP7
SCHEMBL6804683 0.81 SCN4A (0.39) SCN4APRCPDPP4GLI1DPP7
SCHEMBL7500478 0.80 PRCP (0.46) SCN4APRCPDPP4GLI1DPP7
SCHEMBL10067946 0.79 PRCP (0.44) SCN4APRCPDPP4DPP7FDPS
SCHEMBL10067945 0.79 PRCP (0.44) SCN4APRCPDPP4DPP7FDPS
SCHEMBL8285912 0.79 PRCP (0.44) SCN4APRCPDPP4DPP7FDPS
SCHEMBL3957134 0.79 PRCP (0.44) SCN4APRCPDPP4DPP7FDPS

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-20090181958-A1 SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-07-16 US disclosed
US-20090069282-A1 ALKYNE COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-03-12 US disclosed
US-7429597-B2 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2008-09-30 US disclosed
EP-1583757-A1 NOVEL SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES AND USE THEREOF AS FACTOR XA INHIBITORS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2005-10-12 EP disclosed
US-20040176603-A1 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-09-09 US disclosed
WO-2004058743-A1 NOVEL SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES AND USE THEREOF AS FACTOR XA INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-15 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 (3 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-20090069282-A1 ALKYNE COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS MCHR1, MCHR2, GPR119 SCN4A 4358/4885PRCP 1303/4885DPP4 418/4885
US-20040176603-A1 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions F11, F12, F2 SCN4A 1009/4885PRCP 1507/4885DPP4 3714/4885
US-20090181958-A1 SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS F12, F11, F2 SCN4A 623/4885PRCP 1958/4885DPP4 3971/4885

“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.