SCHEMBL2379960

SCHEMBL2379960

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.39
MAPT P10636 5/20 0.39
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
GAA P10253 3/20 0.39
HPGD P15428 3/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 2/20 0.39
HCRTR1 O43613 1/20 0.39
MITF O75030 1/20 0.39
S1PR2 O95136 1/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
CNR2 P34972 1/20 0.38
MAPK1 P28482 3/20 0.37
PIK3CB P42338 3/20 0.36
PIK3CD O00329 1/20 0.36

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
SCHEMBL2442527 0.86 MAPT (0.49) MAPTALDH1A1SMN1; SMN2GAAHPGD
Bromide SCHEMBL2378125 0.85 MAPT (0.48) MAPTALDH1A1SMN1; SMN2GAAHPGD
SCHEMBL2380712 0.79 ROCK2 (0.47) MAPTALDH1A1GAAHPGDKDM4E
SCHEMBL2379440 0.79 ALDH1A1 (0.49) MAPTALDH1A1SMN1; SMN2GAAHPGD
SCHEMBL2445318 0.78 ROCK2 (0.44) MAPTALDH1A1SMN1; SMN2GAAHPGD
SCHEMBL2379967 0.78 NPC1 (0.39) AKT1MAPTALDH1A1SMN1; SMN2GAA
Bromide SCHEMBL2381299 0.77 ROCK2 (0.44) MAPTALDH1A1SMN1; SMN2GAAHPGD
SCHEMBL2378961 0.77 GAA (0.46) MAPTALDH1A1SMN1; SMN2GAAKDM4E
SCHEMBL2380469 0.77 ROCK2 (0.45) MAPTALDH1A1SMN1; SMN2HPGDHTT
SCHEMBL2381300 0.77 CCR4 (0.43) ALDH1A1SMN1; SMN2GAAKDM4EMAPK1

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 AKT1 2327/4885MAPT 72/4885ALDH1A1 2830/4885
US-20170037016-A1 GUANIDINE COMPOUNDS AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, GRM5, GRK5 AKT1 2277/4885MAPT 73/4885ALDH1A1 3189/4885
US-20070299074-A1 Guanidine Compounds, and Use Thereof as Binding partners for 5-Ht5 Receptors HTR5A, GRM5, TAAR5 AKT1 2327/4885MAPT 72/4885ALDH1A1 2830/4885
US-20110237589-A1 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, GRM5, TAAR5 AKT1 2327/4885MAPT 72/4885ALDH1A1 2830/4885

“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.