SCHEMBL3340024

SCHEMBL3340024

CC1(C)C(C(=O)NCC(N)=O)C1(C)C

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
CACNA1H O95180 1/20 0.33
FPR3 P25089 1/20 0.33
FPR2 P25090 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
SCHEMBL13006928 0.79 ALDH1A1 (0.44) ALDH1A1CACNA1H
SCHEMBL6146494 0.75 TSHR (0.30)
SCHEMBL13753922 0.75 ALDH1A1 (0.44) ALDH1A1CACNA1HFPR2
2,2,3,3-Tetramethylcyclopropanecarbonylurea SCHEMBL1577776 0.70 CRBN (0.42) ALDH1A1
SCHEMBL5675791 0.70
SCHEMBL14488626 0.68 ALDH1A1 (0.37) ALDH1A1CACNA1H
SCHEMBL3981066 0.67 POLB (0.41) ALDH1A1FPR3FPR2
SCHEMBL3981127 0.67 POLB (0.37) ALDH1A1FPR3FPR2
SCHEMBL2939500 0.66 ALDH1A1 (0.36) ALDH1A1
SCHEMBL292864 0.66

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5880157-A ANTIEPILEPTIC AGENTS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 1999-03-09 US claimed
WO-1995021814-A1 NOVEL DERIVATIVES OF TETRAMETHYLCYCLOPROPANE TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 1995-08-17 WO claimed
US-8846903-B2 Acyl-urea derivatives and uses thereof YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2014-09-30 US disclosed
US-8846903-B2 Acyl-urea derivatives and uses thereof YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2014-09-30 US disclosed
US-8846903-B2 Acyl-urea derivatives and uses thereof YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2014-09-30 US disclosed
US-8518979-B2 Alpha-halo- and alpha-alkyl-cyclopropylcarboxy compounds and uses thereof YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2013-08-27 US disclosed
US-20100280124-A1 ACYL-UREA DERIVATIVES AND USES THEREOF YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2010-11-04 US disclosed
US-20100280124-A1 ACYL-UREA DERIVATIVES AND USES THEREOF YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2010-11-04 US disclosed
US-20100280124-A1 ACYL-UREA DERIVATIVES AND USES THEREOF YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2010-11-04 US disclosed
US-20100152254-A1 ALPHA-HALO- AND ALPHA-ALKYL-CYCLOPROPYLCARBOXY COMPOUNDS AND USES THEREOF YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2010-06-17 US disclosed
EP-2185505-A2 ACYL-UREA DERIVATIVES AND USES THEREOF Yissum Research Development Company of the Hebrew University of Jerusalem Ltd (IL) 2010-05-19 EP disclosed
WO-2009001356-A2 ACYL-UREA DERIVATIVES AND USES THEREOF YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2008-12-31 WO disclosed
WO-2009001356-A2 ACYL-UREA DERIVATIVES AND USES THEREOF YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2008-12-31 WO disclosed
WO-2008102348-A1 ALPHA-HALO- AND ALPHA-ALKYL-CYCLOPROPYLCARBOXY COMPOUNDS AND USES THEREOF YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2008-08-28 WO disclosed
EP-1603891-B1 NEW AMIDE DERIVATIVES OF 2,2,3,3-TETRAMETHYLCYCLOPROPANE CARBOXYLIC ACID YISSUM RES DEV CO (IL) 2008-05-28 EP disclosed
US-7232929-B2 Amide derivatives of 2,2,3,3-tetramethylcyclopropane carboxylic acid YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2007-06-19 US disclosed
US-20060148861-A1 Amide derivatives of 2,2,3,3-tetramethylcyclopropane carboxylic acid YISSUM RESEARCH DEVELOPEMENT CO. OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2006-07-06 US disclosed
EP-1603891-A1 NEW AMIDE DERIVATIVES OF 2,2,3,3-TETRAMETHYLCYCLOPROPANE CARBOXYLIC ACID YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2005-12-14 EP disclosed
WO-2004076432-A1 NEW AMIDE DERIVATIVES OF 2,2,3,3-TETRAMETHYLCYCLOPROPANE CARBOXYLIC ACID YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2004-09-10 WO disclosed
US-5880157-A ANTIEPILEPTIC AGENTS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 1999-03-09 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 (3 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-20100152254-A1 ALPHA-HALO- AND ALPHA-ALKYL-CYCLOPROPYLCARBOXY COMPOUNDS AND USES THEREOF INA, GBA1, SCN1A ALDH1A1 865/4885CACNA1H 59/4885FPR3 4287/4885
US-20060148861-A1 Amide derivatives of 2,2,3,3-tetramethylcyclopropane carboxylic acid CNR2, GRIN2A, GRIN2C ALDH1A1 694/4885CACNA1H 66/4885FPR3 970/4885
US-20100280124-A1 ACYL-UREA DERIVATIVES AND USES THEREOF ABAT, HDAC6, ACAT1 ALDH1A1 715/4885CACNA1H 682/4885FPR3 3086/4885

“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.