Heptadecyldimethylamine Cyanoborane

Heptadecyldimethylamine Cyanoborane

SCHEMBL1727494

BC#N.CCCCCCCCCCCCCCCCCN(C)C

nearest known ligand 0.71

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 6/20 0.71
TSHR P16473 3/20 0.52
ALDH1A1 P00352 1/20 0.52
THRB P10828 1/20 0.38
ZDHHC20 Q5W0Z9 2/20 0.37
ZDHHC2 Q9UIJ5 1/20 0.37
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
S1PR2 O95136 1/20 0.35
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
S1PR5 Q9H228 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
GGPS1 O95749 1/20 0.33
GBA1 P04062 1/20 0.33

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
Dodecyldimethylamine Cyanoborane SCHEMBL1727682 1.00 DNM1 (0.71) DNM1TSHRALDH1A1THRBZDHHC20
Dimethylpentadecylamine Cyanoborane SCHEMBL1728907 1.00 DNM1 (0.71) DNM1TSHRALDH1A1THRBZDHHC20
Dimethylnonylamine Cyanoborane SCHEMBL1729343 1.00 DNM1 (0.71) DNM1TSHRALDH1A1THRBZDHHC20
Dimethylundecylamine Cyanoborane SCHEMBL1727625 1.00 DNM1 (0.71) DNM1TSHRALDH1A1THRBZDHHC20
Dimethyltridecylamine Cyanoborane SCHEMBL1728054 1.00 DNM1 (0.71) DNM1TSHRALDH1A1THRBZDHHC20
SCHEMBL1729391 0.98 DNM1 (0.67) DNM1TSHRALDH1A1THRBZDHHC20
SCHEMBL1729159 0.90 DNM1 (0.55) DNM1TSHRALDH1A1CA12CA2
SCHEMBL1729349 0.90 ALDH1A1 (0.65) DNM1TSHRALDH1A1CA12CA2
Acetonitrile SCHEMBL5200772 0.88 DNM1 (0.75) DNM1TSHRALDH1A1THRBZDHHC20
Water SCHEMBL1607914 0.87 DNM1 (0.94) DNM1TSHRALDH1A1THRBCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1934234-B1 NOVEL AMINE-BORANE COMPOUNDS AND USES THEREOF YISSUM RES DEV CO (IL) 2011-11-30 EP claimed
US-20100284914-A1 Novel Amine-Borane Compounds and Uses Thereof YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2010-11-11 US claimed
EP-1940421-A1 USE OF AMINE-BORANE COMPOUNDS AS ANTI-MICROBIAL AGENTS Yissum Research Development Company, of The Hebrew University of Jerusalem (IL) 2008-07-09 EP claimed
EP-1934234-A2 NOVEL AMINE-BORANE COMPOUNDS AND USES THEREOF Yissum Research Development Company, of The Hebrew University of Jerusalem (IL) 2008-06-25 EP claimed
WO-2007032004-A1 USE OF AMINE-BORANE COMPOUNDS AS ANTI-MICROBIAL AGENTS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2007-03-22 WO claimed
WO-2007032005-A2 NOVEL AMINE-BORANE COMPOUNDS AND USES THEREOF YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2007-03-22 WO claimed
EP-1934234-B1 NOVEL AMINE-BORANE COMPOUNDS AND USES THEREOF YISSUM RES DEV CO (IL) 2011-11-30 EP disclosed
US-20100284914-A1 Novel Amine-Borane Compounds and Uses Thereof YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2010-11-11 US disclosed
US-20090131366-A1 Use of Amine-Borane Compounds as Anti-Microbial Agents HADASIT MEDICAL RESEARCH SERVICES AND DEVELOPMENT LTD. (IL) 2009-05-21 US disclosed
EP-1940421-A1 USE OF AMINE-BORANE COMPOUNDS AS ANTI-MICROBIAL AGENTS Yissum Research Development Company, of The Hebrew University of Jerusalem (IL) 2008-07-09 EP disclosed
EP-1934234-A2 NOVEL AMINE-BORANE COMPOUNDS AND USES THEREOF Yissum Research Development Company, of The Hebrew University of Jerusalem (IL) 2008-06-25 EP disclosed
WO-2007032004-A1 USE OF AMINE-BORANE COMPOUNDS AS ANTI-MICROBIAL AGENTS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2007-03-22 WO disclosed
WO-2007032005-A2 NOVEL AMINE-BORANE COMPOUNDS AND USES THEREOF YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2007-03-22 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 (2 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-20090131366-A1 Use of Amine-Borane Compounds as Anti-Microbial Agents BCAT2, BCAT1, ARG1 DNM1 2204/4885TSHR 2627/4885ALDH1A1 3639/4885
US-20100284914-A1 Novel Amine-Borane Compounds and Uses Thereof SLC1A5, BDKRB1, PAICS DNM1 2564/4885TSHR 1109/4885ALDH1A1 3757/4885

“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.