SCHEMBL1362020

SCHEMBL1362020

CCN(C1CCCCC1)N(C)C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 6/20 0.43
ADH1C P00326 4/20 0.43
PHGDH O43175 2/20 0.34
FAAH O00519 1/20 0.34
MGLL Q99685 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
ALDH1A1 P00352 1/20 0.32
SHBG P04278 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ADH1B P00325 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL1362877 0.82 ADH1A (0.47) ADH1AADH1CPHGDHFAAHMGLL
SCHEMBL16103886 0.76 ADH1A (0.50) ADH1AADH1CPHGDHFAAHMGLL
SCHEMBL25329188 0.73 ADH1A (0.41) ADH1AADH1CPHGDHALDH1A1SHBG
SCHEMBL4570866 0.72 ADH1A (0.48) ADH1AADH1CPHGDHFAAHMGLL
SCHEMBL5703290 0.72 ADH1A (0.48) ADH1AADH1CPHGDHFAAHMGLL
SCHEMBL21180049 0.72 ADH1A (0.48) ADH1AADH1CPHGDHFAAHMGLL
SCHEMBL170201 0.72 ADH1A (0.48) ADH1AADH1CPHGDHFAAHMGLL
SCHEMBL20197642 0.72 ADH1A (0.48) ADH1AADH1CPHGDHFAAHMGLL
Water SCHEMBL28842264 0.70 ADH1A (0.46) ADH1AADH1CPHGDHFAAHMGLL
SCHEMBL150343 0.69 ADH1A (0.50) ADH1AADH1CPHGDHALDH1A1SHBG

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-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
EP-2245016-A1 SUBSTITUTED AMINO-BENZIMIDAZOLES, MEDICAMENTS COMPRISING SAID COMPOUND, THEIR USE AND THEIR METHOD OF MANUFACTURE Boehringer Ingelheim International GmbH (DE) 2010-11-03 EP 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
US-3947463-A Certain 2-amino-nicotinonitrile derivatives CASSELLA FARBWERKE MAINKUR AG (DT) 1976-03-30 US 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 ADH1A 1639/4885ADH1C 3203/4885PHGDH 2728/4885

“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.