SCHEMBL2379967

SCHEMBL2379967

COc1cccc(OC)c1CNC(N)=Nc1nc(N2CCOCC2)cs1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
AKT1 P31749 3/20 0.38
PIK3CA P42336 2/20 0.38
MTOR P42345 1/20 0.38
ATP4A P20648 2/20 0.38
ATP4B P51164 2/20 0.38
CNR2 P34972 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
LRRK2 Q5S007 2/20 0.36
AR P10275 1/20 0.36
STK4 Q13043 1/20 0.36
STK3 Q13188 1/20 0.36
PIK3CB P42338 3/20 0.36
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL2442530 0.86 MAPT (0.47) NPC1RAB9AMAPTSMN1; SMN2MTOR
Bromide SCHEMBL2378128 0.86 MAPT (0.46) NPC1RAB9AMAPTSMN1; SMN2MTOR
SCHEMBL2380717 0.80 GAA (0.44) MAPTATP4AATP4BL3MBTL1ALDH1A1
SCHEMBL2379444 0.79 ATP4A (0.44) NPC1RAB9AMAPTSMN1; SMN2ATP4A
SCHEMBL2445321 0.79 ATP4A (0.43) NPC1RAB9AMAPTSMN1; SMN2ATP4A
Bromide SCHEMBL2381303 0.78 ATP4A (0.44) NPC1RAB9AMAPTSMN1; SMN2ATP4A
SCHEMBL2379960 0.78 AKT1 (0.39) NPC1RAB9AMAPTSMN1; SMN2AKT1
SCHEMBL2380476 0.77 ATP4A (0.51) NPC1RAB9AMAPTATP4AATP4B
SCHEMBL2378964 0.77 ATP4A (0.43) NPC1RAB9AMAPTSMN1; SMN2ATP4A
SCHEMBL2381310 0.77 ATP4A (0.42) NPC1RAB9AMAPTATP4AATP4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170037016-A1 GUANIDINE COMPOUNDS AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBVIE DEUTSCHLAND (DE) 2017-02-09 US disclosed
US-9475782-B2 Guanidine compounds, and use thereof as binding partners for 5-HT5 receptors AbbVie Deutschland GmbH & Co. KG (DE) 2016-10-25 US disclosed
EP-1716127-B1 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBVIE DEUTSCHLAND (DE) 2014-08-06 EP disclosed
US-20130324537-A1 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBOTT LABORATORIES (US) 2013-12-05 US disclosed
US-8481576-B2 Guanidine compounds, and use thereof as binding partners for 5-HT5 receptors ABBOTT GMBH & CO. KG (DE) 2013-07-09 US disclosed
US-8431604-B2 Guanidine compounds, and use thereof as binding partners for 5-HT5 receptors ABBOTT GMBH & CO. KG (DE) 2013-04-30 US disclosed
EP-2380885-A1 Guanidine compounds and use of same as binding partners for 5-HT5 receptors Abbott GmbH & Co. KG (DE) 2011-10-26 EP disclosed
US-20110237589-A1 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2011-09-29 US disclosed
EP-2366392-A1 Guanidine compounds and use of same as binding partners for 5-HT5 receptors Abbott GmbH & Co. KG (DE) 2011-09-21 EP disclosed
EP-2366697-A1 Guanidine compounds and use of same as binding partners for 5-HT5 receptors Abbott GmbH & Co. KG (DE) 2011-09-21 EP disclosed
US-20070299074-A1 Guanidine Compounds, and Use Thereof as Binding partners for 5-Ht5 Receptors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2007-12-27 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 (4 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-20130324537-A1 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, GRM5, TAAR5 NPC1 2968/4885RAB9A 1420/4885MAPT 72/4885
US-20170037016-A1 GUANIDINE COMPOUNDS AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, GRM5, GRK5 NPC1 3179/4885RAB9A 1428/4885MAPT 73/4885
US-20070299074-A1 Guanidine Compounds, and Use Thereof as Binding partners for 5-Ht5 Receptors HTR5A, GRM5, TAAR5 NPC1 2968/4885RAB9A 1420/4885MAPT 72/4885
US-20110237589-A1 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, GRM5, TAAR5 NPC1 2968/4885RAB9A 1420/4885MAPT 72/4885

“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.