SCHEMBL2845218

SCHEMBL2845218

c1cnc2c(c1)CNCCCN2

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CD44 P16070 2/20 0.39
PNMT P11086 1/20 0.39
MAOB P27338 1/20 0.39
ASIC3 Q9UHC3 1/20 0.39
RYR2 Q92736 1/20 0.34
HTR2C P28335 4/20 0.33
HTR2B P41595 2/20 0.33
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTR2A P28223 1/20 0.32
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31

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
SCHEMBL30806877 0.89 CD44 (0.42) CD44PNMTMAOBASIC3RYR2
SCHEMBL6618255 0.89 CD44 (0.42) CD44PNMTMAOBASIC3RYR2
SCHEMBL2161648 0.79 PNMT (0.34) CD44PNMTMAOBASIC3HTR2C
SCHEMBL38950 0.79 NNMT (0.44) HTR2CHTR2BHTR2AADRA2AADRA2B
SCHEMBL29416448 0.79 NNMT (0.44) HTR2CHTR2BHTR2AADRA2AADRA2B
SCHEMBL2400223 0.78
SCHEMBL2608519 0.77 TSHR (0.41) HTR2CHTR2BSMN1; SMN2HTR2AADRA2A
Hydrochloric Acid SCHEMBL31063054 0.77 NNMT (0.42) HTR2CHTR2BHTR2AADRA2AADRA2B
SCHEMBL30903257 0.77 TSHR (0.41) HTR2CHTR2BSMN1; SMN2HTR2AADRA2A
Hydrochloric Acid SCHEMBL21777851 0.77 NNMT (0.42) HTR2CHTR2BHTR2AADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2687533-B1 Acrylamide derivatives as FAB I inhibitors DEBIOPHARM INT SA (CH) 2017-07-19 EP disclosed
EP-2687533-B1 Acrylamide derivatives as FAB I inhibitors DEBIOPHARM INT SA (CH) 2017-07-19 EP disclosed
EP-2054422-B1 ACRYLAMIDE DERIVATIVES AS FAB I INHIBITORS DEBIOPHARM INT SA (CH) 2017-06-14 EP disclosed
EP-2054422-B1 ACRYLAMIDE DERIVATIVES AS FAB I INHIBITORS DEBIOPHARM INT SA (CH) 2017-06-14 EP disclosed
US-8895545-B2 Acrylamide derivatives as Fab I inhibitors DEBIOPHARM INTERNATIONAL SA (CH) 2014-11-25 US disclosed
US-8895545-B2 Acrylamide derivatives as Fab I inhibitors DEBIOPHARM INTERNATIONAL SA (CH) 2014-11-25 US disclosed
US-8895545-B2 Acrylamide derivatives as Fab I inhibitors DEBIOPHARM INTERNATIONAL SA (CH) 2014-11-25 US disclosed
EP-2687533-A2 Acrylamide derivatives as FAB I inhibitors Affinium Pharmaceuticals, Inc. (CA) 2014-01-22 EP disclosed
US-20130237523-A1 ACRYLAMIDE DERIVATIVES AS FAB I INHIBITORS AFFINIUM PHARMACEUTICALS, INC. (CA) 2013-09-12 US disclosed
US-20130237523-A1 ACRYLAMIDE DERIVATIVES AS FAB I INHIBITORS AFFINIUM PHARMACEUTICALS, INC. (CA) 2013-09-12 US disclosed
US-20130237523-A1 ACRYLAMIDE DERIVATIVES AS FAB I INHIBITORS AFFINIUM PHARMACEUTICALS, INC. (CA) 2013-09-12 US disclosed
US-8318720-B2 Acrylamide derivatives as Fab I inhibitors AFFINIUM PHARMACEUTICALS, INC. (CA) 2012-11-27 US disclosed
US-8318720-B2 Acrylamide derivatives as Fab I inhibitors AFFINIUM PHARMACEUTICALS, INC. (CA) 2012-11-27 US disclosed
US-8318720-B2 Acrylamide derivatives as Fab I inhibitors AFFINIUM PHARMACEUTICALS, INC. (CA) 2012-11-27 US disclosed
US-20100130470-A1 ACRYLAMIDE DERIVATIVES AS FAB I INHIBITORS AFFINIUM PHARMACEUTICALS, INC. 2010-05-27 US disclosed
US-20100130470-A1 ACRYLAMIDE DERIVATIVES AS FAB I INHIBITORS AFFINIUM PHARMACEUTICALS, INC. 2010-05-27 US disclosed
US-20100130470-A1 ACRYLAMIDE DERIVATIVES AS FAB I INHIBITORS AFFINIUM PHARMACEUTICALS, INC. 2010-05-27 US disclosed
EP-2054422-A1 ACRYLAMIDE DERIVATIVES AS FAB I INHIBITORS Affinium Pharmaceuticals, Inc. (CA) 2009-05-06 EP disclosed
WO-2008009122-A1 ACRYLAMIDE DERIVATIVES AS FAB I INHIBITORS AFFINIUM PHARMACEUTICALS, INC. (CA) 2008-01-24 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-20130237523-A1 ACRYLAMIDE DERIVATIVES AS FAB I INHIBITORS ACR, DBI, AADAC CD44 3674/4885PNMT 3947/4885MAOB 1854/4885
US-20100130470-A1 ACRYLAMIDE DERIVATIVES AS FAB I INHIBITORS ACR, DBI, AADAC CD44 3674/4885PNMT 3947/4885MAOB 1854/4885

“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.