SCHEMBL8006900

SCHEMBL8006900

CCCN(C(=O)c1cccc(CN)c1)C1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.51
SLC6A4 P31645 1/20 0.49
KCNH2 Q12809 1/20 0.49
AGER Q15109 3/20 0.44
MTNR1A P48039 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LOXL2 Q9Y4K0 2/20 0.44
TRPM8 Q7Z2W7 1/20 0.43
SLC6A9 P48067 1/20 0.42
SLC6A5 Q9Y345 1/20 0.42
LMNA P02545 1/20 0.41
THRB P10828 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL10724251 0.88 SLC6A4 (0.56) HSD11B1SLC6A4KCNH2AGERMTNR1A
SCHEMBL13911240 0.82 HSD11B1 (0.63) HSD11B1SLC6A4KCNH2AGERL3MBTL1
SCHEMBL6000394 0.82 HPGD (0.53) HSD11B1LOXL2LMNAALDH1A1MEN1
SCHEMBL8004518 0.82 SLC6A9 (0.44) HSD11B1SLC6A4KCNH2AGERMTNR1A
SCHEMBL13911269 0.82 AGER (0.56) HSD11B1SLC6A4KCNH2AGERMTNR1A
SCHEMBL10722289 0.81 HSD11B1 (0.56) HSD11B1SLC6A4KCNH2AGERMTNR1A
SCHEMBL10722512 0.80 HSD11B1 (0.56) HSD11B1SLC6A4KCNH2AGERMTNR1A
SCHEMBL12139120 0.79 HSD11B1 (0.48) HSD11B1SLC6A4KCNH2AGERMTNR1A
SCHEMBL12139135 0.79 HSD11B1 (0.47) HSD11B1SLC6A4KCNH2AGERL3MBTL1
SCHEMBL13911241 0.79 SLC6A4 (0.56) HSD11B1SLC6A4KCNH2AGERMTNR1A

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 HSD11B1 2731/4885SLC6A4 207/4885KCNH2 3970/4885

“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.