SCHEMBL10055019

SCHEMBL10055019

COc1ccc(NCc2ccc(CNc3ccc(OC)cc3)cc2)cc1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.82
GAA P10253 3/20 0.82
RAB9A P51151 3/20 0.82
NPC1 O15118 2/20 0.82
L3MBTL1 Q9Y468 2/20 0.82
MEN1 O00255 1/20 0.82
KMT2A Q03164 1/20 0.82
LMNA P02545 1/20 0.71
KDM4E B2RXH2 1/20 0.71
ALDH1A1 P00352 1/20 0.71
TDP1 Q9NUW8 1/20 0.71
CA12 O43570 1/20 0.70
CA1 P00915 1/20 0.70
CA2 P00918 1/20 0.70
CA9 Q16790 1/20 0.70
FFAR1 O14842 1/20 0.68
HIF1A Q16665 1/20 0.66
TUBB4A P04350 1/20 0.66
TUBB P07437 1/20 0.66
TUBA3C P0DPH7 1/20 0.66

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
SCHEMBL1844199 1.00 MAPT (0.82) MAPTGAARAB9ANPC1L3MBTL1
SCHEMBL5669873 1.00 MAPT (0.82) MAPTGAARAB9ANPC1L3MBTL1
SCHEMBL22783768 0.94 MAPT (0.74) MAPTGAARAB9ANPC1L3MBTL1
SCHEMBL8348682 0.92 MAPT (0.72) MAPTGAARAB9ANPC1L3MBTL1
SCHEMBL169696 0.92 MAPT (0.72) MAPTGAARAB9ANPC1L3MBTL1
SCHEMBL8345852 0.92 MAPT (0.72) MAPTGAARAB9ANPC1L3MBTL1
SCHEMBL10924995 0.91 RAB9A (0.70) MAPTGAARAB9ANPC1L3MBTL1
SCHEMBL11935861 0.91 MAPT (0.70) MAPTGAARAB9ANPC1L3MBTL1
SCHEMBL5863587 0.91 MAPT (0.70) MAPTGAARAB9ANPC1L3MBTL1
SCHEMBL14809315 0.91 MAPT (1.00) MAPTGAARAB9ANPC1L3MBTL1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11779583-B2 Tricyclic amino containing compounds for treatment or prevention of symptoms associated with endocrine dysfunction EMORY UNIVERSITY (US) 2023-10-10 US disclosed
US-20210401836-A1 TRICYCLIC AMINO CONTAINING COMPOUNDS FOR TREATMENT OR PREVENTION OF SYMPTOMS ASSOCIATED WITH ENDOCRINE DYSFUNCTION EMORY UNIVERSITY (US) 2021-12-30 US disclosed
US-10632120-B2 Tricyclic amino containing compounds for treatment or prevention of symptoms associated with endocrine dysfunction EMORY UNIVERSITY (US) 2020-04-28 US disclosed
US-20180104243-A1 Tricyclic Amino Containing Compounds for Treatment or Prevention of Symptoms Associated with Endocrine Dysfunction EMORY UNIVERSITY 2018-04-19 US disclosed
EP-2776387-B1 TRICYCLIC AMINO CONTAINING COMPOUNDS FOR TREATMENT OR PREVENTION OF SYMPTOMS ASSOCIATED WITH ENDOCRINE DYSFUNCTION UNIV EMORY (US) 2017-02-01 EP disclosed
US-20160058761-A1 Tricyclic Amino Containing Compounds for Treatment or Prevention of Symptoms Associated with Endocrine Dysfunction METASTATIX, INC. 2016-03-03 US disclosed
US-20160002174-A1 CXCR4 Antagonists for the Treatment of Medical Disorders EMORY UNIVERSITY 2016-01-07 US disclosed
US-9205085-B2 Tricyclic amino containing compounds for treatment or prevention of symptoms associated with endocrine dysfunction EMORY UNIVERSITY (US) 2015-12-08 US disclosed
US-20140039187-A1 CXCR4 ANTAGONISTS FOR THE TREATMENT OF MEDICAL DISORDERS EMORY UNIVERSITY 2014-02-06 US disclosed
WO-2013070660-A1 TRICYCLIC AMINO CONTAINING COMPOUNDS FOR TREATMENT OR PREVENTION OF SYMPTOMS ASSOCIATED WITH ENDOCRINE DYSFUNCTION EMORY UNIVERSITY (US) 2013-05-16 WO disclosed
US-8080659-B2 CXCR4 antagonists including diazine and triazine structures for the treatment of medical disorders EMORY UNIVERSITY (US) 2011-12-20 US disclosed
US-8080659-B2 CXCR4 antagonists including diazine and triazine structures for the treatment of medical disorders EMORY UNIVERSITY (US) 2011-12-20 US disclosed
US-8008312-B2 CXCR4 antagonists for the treatment of HIV infection EMORY UNIVERSITY (US) 2011-08-30 US disclosed
US-8008312-B2 CXCR4 antagonists for the treatment of HIV infection EMORY UNIVERSITY (US) 2011-08-30 US disclosed
US-20090099194-A1 CXCR4 Antagonists Including Diazine And Triazine Structures For The Treatment Of Medical Disorders EMORY UNIVERSITY 2009-04-16 US disclosed
US-20090099194-A1 CXCR4 Antagonists Including Diazine And Triazine Structures For The Treatment Of Medical Disorders EMORY UNIVERSITY 2009-04-16 US disclosed
WO-2008008854-A9 CXCR4 ANTAGONISTS INCLUDING DIAZINE AND TRIAZINE STRUCTURES FOR THE TREATMENT OF MEDICAL DISORDERS UNIV EMORY (US) 2008-03-27 WO disclosed
WO-2008008854-A2 CXCR4 ANTAGONISTS INCLUDING DIAZINE AND TRIAZINE STRUCTURES FOR THE TREATMENT OF MEDICAL DISORDERS EMORY UNIVERSITY (US) 2008-01-17 WO disclosed
US-20070054930-A1 CXCR4 antagonists for the treatment of medical disorders EMORY UNIVERSITY 2007-03-08 US disclosed
US-20070054930-A1 CXCR4 antagonists for the treatment of medical disorders EMORY UNIVERSITY 2007-03-08 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 (9 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-20210401836-A1 TRICYCLIC AMINO CONTAINING COMPOUNDS FOR TREATMENT OR PREVENTION OF SYMPTOMS ASSOCIATED WITH ENDOCRINE DYSFUNCTION SHBG, ABAT, GLS MAPT 3864/4885GAA 3602/4885RAB9A 3268/4885
US-10632120-B2 Tricyclic amino containing compounds for treatment or prevention of symptoms associated with endocrine dysfunction SHBG, ABAT, GLS MAPT 3864/4885GAA 3602/4885RAB9A 3268/4885
US-20070054930-A1 CXCR4 antagonists for the treatment of medical disorders CXCR4, CXCL12, CXCR1 MAPT 4435/4885GAA 2882/4885RAB9A 2008/4885
US-20160058761-A1 Tricyclic Amino Containing Compounds for Treatment or Prevention of Symptoms Associated with Endocrine Dysfunction SHBG, ABAT, GLS MAPT 3864/4885GAA 3602/4885RAB9A 3268/4885
US-11779583-B2 Tricyclic amino containing compounds for treatment or prevention of symptoms associated with endocrine dysfunction SHBG, ABAT, GLS MAPT 3864/4885GAA 3602/4885RAB9A 3268/4885
US-20160002174-A1 CXCR4 Antagonists for the Treatment of Medical Disorders CXCR4, CXCL12, CXCR1 MAPT 4435/4885GAA 2882/4885RAB9A 2008/4885
US-20140039187-A1 CXCR4 ANTAGONISTS FOR THE TREATMENT OF MEDICAL DISORDERS CXCR4, CXCL12, CXCR1 MAPT 4435/4885GAA 2882/4885RAB9A 2008/4885
US-20180104243-A1 Tricyclic Amino Containing Compounds for Treatment or Prevention of Symptoms Associated with Endocrine Dysfunction SHBG, ABAT, GLS MAPT 3864/4885GAA 3602/4885RAB9A 3268/4885
US-20090099194-A1 CXCR4 Antagonists Including Diazine And Triazine Structures For The Treatment Of Medical Disorders CXCR4, CXCL12, CCR5 MAPT 4141/4885GAA 3408/4885RAB9A 3386/4885

“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.