SCHEMBL1729159

SCHEMBL1729159

BC#N.CCCCN(C)C

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 6/20 0.55
TSHR P16473 2/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
TDP1 Q9NUW8 1/20 0.30
CA12 O43570 1/20 0.30
CA2 P00918 1/20 0.30
CA3 P07451 1/20 0.30
CA4 P22748 1/20 0.30
CA6 P23280 1/20 0.30
CA5A P35218 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 1/20 0.30
CA5B Q9Y2D0 1/20 0.30
KDM4E B2RXH2 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL1729391 0.92 DNM1 (0.67) DNM1TSHRALDH1A1CYP1A2CYP2D6
Dimethylnonylamine Cyanoborane SCHEMBL1729343 0.90 DNM1 (0.71) DNM1TSHRALDH1A1CYP1A2CYP2D6
Dimethylpentadecylamine Cyanoborane SCHEMBL1728907 0.90 DNM1 (0.71) DNM1TSHRALDH1A1CYP1A2CYP2D6
Dimethyltridecylamine Cyanoborane SCHEMBL1728054 0.90 DNM1 (0.71) DNM1TSHRALDH1A1CYP1A2CYP2D6
Dimethylundecylamine Cyanoborane SCHEMBL1727625 0.90 DNM1 (0.71) DNM1TSHRALDH1A1CYP1A2CYP2D6
Heptadecyldimethylamine Cyanoborane SCHEMBL1727494 0.90 DNM1 (0.71) DNM1TSHRALDH1A1CYP1A2CYP2D6
Dodecyldimethylamine Cyanoborane SCHEMBL1727682 0.90 DNM1 (0.71) DNM1TSHRALDH1A1CYP1A2CYP2D6
Water SCHEMBL27864169 0.86
SCHEMBL1729349 0.83 ALDH1A1 (0.65) DNM1TSHRALDH1A1CYP1A2CYP2D6
SCHEMBL8332066 0.83

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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.