SCHEMBL2378852

SCHEMBL2378852

COc1cccc(OC)c1CNC(=N)Nc1nc(C2CCCN2C(C)C)cs1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
ROCK2 O75116 2/20 0.35
ROCK1 Q13464 2/20 0.35
NPC1 O15118 1/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 1/20 0.33
MAPK1 P28482 1/20 0.33
KCNQ1 P51787 1/20 0.33
SPHK2 Q9NRA0 1/20 0.33
SPHK1 Q9NYA1 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
DRD2 P14416 1/20 0.32
PARP1 P09874 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
SCHEMBL2380071 0.88 TRPV1 (0.38) TRPV1LMNAKDM4EHTTROCK2
SCHEMBL2380231 0.86 TRPV1 (0.43) TRPV1LMNAKDM4EHTTROCK2
SCHEMBL2425173 0.85 TRPV1 (0.42) TRPV1LMNAKDM4EHTTROCK2
SCHEMBL2382160 0.84 KMT2A (0.40) TRPV1LMNAKDM4EHTTSPHK2
SCHEMBL2380382 0.82 TRPV1 (0.41) TRPV1LMNAKDM4EHTTROCK2
SCHEMBL2379890 0.82 LMNA (0.53) LMNAKDM4EHTTPKMRAB9A
SCHEMBL2379691 0.81 RORC (0.43) ROCK2ROCK1NPC1RAB9AKCNQ1
SCHEMBL2378856 0.81 ATP4A (0.37) TRPV1LMNAKMT2AHPGDDRD2
SCHEMBL2380068 0.79 PDCD1LG2 (0.37) ROCK2ROCK1NPC1RAB9AMEN1
Hydrochloric Acid SCHEMBL2378935 0.78 PDCD1LG2 (0.36) ROCK2ROCK1NPC1RAB9AMEN1

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 13 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
EP-1716127-A2 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS Abbott GmbH & Co. KG (DE) 2006-11-02 EP disclosed
WO-2005082871-A2 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBOTT GMBH & CO. KG (DE) 2005-09-09 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 (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 TRPV1 661/4885LMNA 2422/4885KDM4E 2684/4885
US-20170037016-A1 GUANIDINE COMPOUNDS AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, GRM5, GRK5 TRPV1 774/4885LMNA 2533/4885KDM4E 2805/4885
US-20070299074-A1 Guanidine Compounds, and Use Thereof as Binding partners for 5-Ht5 Receptors HTR5A, GRM5, TAAR5 TRPV1 661/4885LMNA 2422/4885KDM4E 2684/4885
US-20110237589-A1 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, GRM5, TAAR5 TRPV1 661/4885LMNA 2422/4885KDM4E 2684/4885

“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.