SCHEMBL8004518

SCHEMBL8004518

CCCN(C(=O)c1cc(F)cc(CN)c1)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 9/20 0.44
AGER Q15109 3/20 0.44
MTNR1A P48039 1/20 0.44
HSD11B1 P28845 3/20 0.43
SLC6A5 Q9Y345 4/20 0.41
SLC6A4 P31645 1/20 0.41
KCNH2 Q12809 1/20 0.41
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
F2 P00734 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL8006900 0.82 HSD11B1 (0.51) SLC6A9AGERMTNR1AHSD11B1SLC6A5
SCHEMBL8003812 0.80 NSD2 (0.44) SLC6A9AGERMTNR1AHSD11B1SLC6A5
SCHEMBL10722512 0.76 HSD11B1 (0.56) SLC6A9AGERMTNR1AHSD11B1SLC6A5
SCHEMBL8005943 0.76 AGER (0.43) SLC6A9AGERMTNR1AHSD11B1SLC6A5
SCHEMBL10724251 0.74 SLC6A4 (0.56) SLC6A9AGERMTNR1AHSD11B1SLC6A5
SCHEMBL12139192 0.74 HSD11B1 (0.39) SLC6A9AGERMTNR1AHSD11B1SLC6A5
SCHEMBL12139135 0.73 HSD11B1 (0.47) SLC6A9AGERHSD11B1SLC6A5SLC6A4
SCHEMBL13911269 0.72 AGER (0.56) AGERMTNR1AHSD11B1SLC6A4KCNH2
SCHEMBL14878549 0.72 HSD11B1 (0.40) SLC6A9AGERMTNR1AHSD11B1SLC6A5
SCHEMBL9001743 0.71 HSD11B1 (0.52) SLC6A9AGERMTNR1AHSD11B1SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426607-B2 Substituted amino-benzimidazoles, medicaments comprimising said compound, their use and their method of manufacture BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-04-23 US disclosed
US-8426607-B2 Substituted amino-benzimidazoles, medicaments comprimising said compound, their use and their method of manufacture BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-04-23 US disclosed
US-20110288139-A1 SUBSTITUTED AMINO-BENZIMIDAZOLES, MEDICAMENTS COMPRIMISING SAID COMPOUND, THEIR USE AND THEIR METHOD OF MANUFACTURE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-24 US disclosed
US-20110288139-A1 SUBSTITUTED AMINO-BENZIMIDAZOLES, MEDICAMENTS COMPRIMISING SAID COMPOUND, THEIR USE AND THEIR METHOD OF MANUFACTURE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-24 US disclosed
WO-2009092566-A1 SUBSTITUTED AMINO-BENZIMIDAZOLES, MEDICAMENTS COMPRISING SAID COMPOUND, THEIR USE AND THEIR METHOD OF MANUFACTURE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-30 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-20110288139-A1 SUBSTITUTED AMINO-BENZIMIDAZOLES, MEDICAMENTS COMPRIMISING SAID COMPOUND, THEIR USE AND THEIR METHOD OF MANUFACTURE PSEN1, AADAT, PSEN2 SLC6A9 2801/4885AGER 491/4885MTNR1A 814/4885

“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.