SCHEMBL2380474

SCHEMBL2380474

COc1cccc(OC)c1CN=C(N)Nc1nc2c(s1)CN(C(C)=O)CC2

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.45
GRM5 P41594 1/20 0.45
NPC1 O15118 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
RAB9A P51151 1/20 0.44
PIK3CG P48736 6/20 0.43
ROCK2 O75116 5/20 0.42
GCK P35557 1/20 0.42
HCAR1 Q9BXC0 1/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
THRB P10828 1/20 0.41
POLB P06746 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL2379587 0.82 GAA (0.57) ALOX15NPC1CYP1A2CYP2D6HPGD
SCHEMBL2380467 0.81 GRM5 (0.46) ALOX15GRM5NPC1CYP1A2CYP2D6
SCHEMBL9385295 0.73 GRM5 (0.51) ALOX15GRM5NPC1CYP1A2CYP2D6
SCHEMBL2383685 0.72 POLB (0.53) NPC1HPGDRAB9AMAPTLMNA
SCHEMBL2450562 0.70 NPC1 (0.55) NPC1HPGDRAB9AMAPTLMNA
SCHEMBL2380240 0.70 ATP4A (0.48) NPC1RAB9AGCKLMNAPOLB
SCHEMBL2381391 0.69 KDM4E (0.55) NPC1HPGDRAB9AMAPTLMNA
SCHEMBL2420901 0.69 ALDH1A1 (0.45) ALOX15NPC1CYP1A2CYP2D6HPGD
SCHEMBL8843033 0.68 NPC1 (0.59) ALOX15NPC1CYP1A2CYP2D6HPGD
SCHEMBL1435758 0.67 GRM5 (0.49) GRM5NPC1CYP1A2CYP2D6HPGD

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 ALOX15 1109/4885GRM5 2/4885NPC1 2968/4885
US-20170037016-A1 GUANIDINE COMPOUNDS AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, GRM5, GRK5 ALOX15 1365/4885GRM5 2/4885NPC1 3179/4885
US-20070299074-A1 Guanidine Compounds, and Use Thereof as Binding partners for 5-Ht5 Receptors HTR5A, GRM5, TAAR5 ALOX15 1109/4885GRM5 2/4885NPC1 2968/4885
US-20110237589-A1 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, GRM5, TAAR5 ALOX15 1109/4885GRM5 2/4885NPC1 2968/4885

“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.