SCHEMBL8003812

SCHEMBL8003812

CCCN(C(=O)c1cc(F)cc(C#N)c1)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.44
SLC6A9 P48067 7/20 0.43
SLC6A4 P31645 1/20 0.42
KCNH2 Q12809 1/20 0.42
HSD11B1 P28845 2/20 0.41
AGER Q15109 2/20 0.40
MTNR1A P48039 1/20 0.40
SLC6A5 Q9Y345 3/20 0.40
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
F2 P00734 2/20 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
SCHEMBL8004518 0.80 SLC6A9 (0.44) SLC6A9SLC6A4KCNH2HSD11B1AGER
SCHEMBL10722512 0.75 HSD11B1 (0.56) SLC6A9SLC6A4KCNH2HSD11B1AGER
SCHEMBL8004431 0.74 SLC6A4 (0.45) SLC6A9SLC6A4KCNH2HSD11B1SLC6A5
SCHEMBL10724251 0.73 SLC6A4 (0.56) SLC6A9SLC6A4KCNH2HSD11B1AGER
SCHEMBL13911269 0.72 AGER (0.56) SLC6A4KCNH2HSD11B1AGERMTNR1A
SCHEMBL12139122 0.71 SLC6A4 (0.43) SLC6A9SLC6A4KCNH2HSD11B1AGER
SCHEMBL23384719 0.71
SCHEMBL20646737 0.71
SCHEMBL9001743 0.71 HSD11B1 (0.52) SLC6A9SLC6A4KCNH2HSD11B1AGER
SCHEMBL7604434 0.70 NSD2 (0.54) NSD2SLC6A9SLC6A4KCNH2HSD11B1

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 NSD2 730/4885SLC6A9 2801/4885SLC6A4 207/4885

“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.