SCHEMBL1730284

SCHEMBL1730284

BC#N.C=CCCCCN(C)C

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
ALDH1A1 P00352 3/20 0.40
DNM1 Q05193 3/20 0.34
TRPA1 O75762 2/20 0.32

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
SCHEMBL2887665 0.87
SCHEMBL1727667 0.85 ALDH1A1 (0.39) TSHRALDH1A1
SCHEMBL3116213 0.84 TSHR (0.58) TSHRALDH1A1DNM1TRPA1
SCHEMBL3119072 0.84 TSHR (0.58) TSHRALDH1A1DNM1TRPA1
SCHEMBL3109511 0.84 TSHR (0.58) TSHRALDH1A1DNM1TRPA1
SCHEMBL3121300 0.84 TSHR (0.58) TSHRALDH1A1DNM1TRPA1
SCHEMBL3123219 0.84 TSHR (0.58) TSHRALDH1A1DNM1TRPA1
SCHEMBL816016 0.84 TSHR (0.58) TSHRALDH1A1DNM1TRPA1
SCHEMBL28334887 0.84 TSHR (0.58) TSHRALDH1A1DNM1TRPA1
Bromide SCHEMBL30719251 0.82 TSHR (0.55) TSHRALDH1A1DNM1TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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 TSHR 2627/4885ALDH1A1 3639/4885DNM1 2204/4885
US-20100284914-A1 Novel Amine-Borane Compounds and Uses Thereof SLC1A5, BDKRB1, PAICS TSHR 1109/4885ALDH1A1 3757/4885DNM1 2564/4885

“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.