SCHEMBL4747480

SCHEMBL4747480

OCc1ccc(CNc2ncccn2)cc1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
KMT2A Q03164 1/20 0.54
CXCR4 P61073 1/20 0.52
HDAC1 Q13547 2/20 0.49
ALDH1A1 P00352 1/20 0.48
FABP1 P07148 1/20 0.46
FABP6 P51161 1/20 0.46
KDM4E B2RXH2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44

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
Msx-122 SCHEMBL10054965 0.89 CXCR4 (0.61) MEN1NPC1RAB9AKMT2ACXCR4
SCHEMBL4064838 0.81 CXCR4 (0.82) MEN1NPC1RAB9AKMT2ACXCR4
SCHEMBL1413125 0.80 FABP1 (0.67) MEN1NPC1RAB9AKMT2ACXCR4
SCHEMBL5206504 0.79 MEN1 (0.54) MEN1NPC1RAB9AKMT2ACXCR4
SCHEMBL10055050 0.79 CXCR4 (0.52) MEN1NPC1RAB9AKMT2ACXCR4
SCHEMBL28475529 0.78 FABP1 (0.64) MEN1NPC1RAB9AKMT2ACXCR4
SCHEMBL10055016 0.78 MAOA (0.58) MEN1NPC1RAB9AKMT2ACXCR4
SCHEMBL16397614 0.77 KMT2A (0.60) MEN1NPC1RAB9AKMT2AHDAC1
SCHEMBL23094503 0.76 VNN1 (0.60) MEN1KMT2AHDAC1ALDH1A1FABP1
SCHEMBL13879818 0.76 KDM4E (0.49) MEN1NPC1RAB9AKMT2ACXCR4

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 33 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-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
US-20180104243-A1 Tricyclic Amino Containing Compounds for Treatment or Prevention of Symptoms Associated with Endocrine Dysfunction EMORY UNIVERSITY 2018-04-19 US disclosed
US-20170152443-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT CHI MEI CORPORATION (TW) 2017-06-01 US disclosed
US-20170152443-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT CHI MEI CORPORATION (TW) 2017-06-01 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-20080293711-A1 Chemokine receptor modulators METASTATIX, INC. 2008-11-27 US disclosed
US-20080293711-A1 Chemokine receptor modulators METASTATIX, INC. 2008-11-27 US disclosed
US-20080293711-A1 Chemokine receptor modulators METASTATIX, INC. 2008-11-27 US disclosed
US-20080227799-A1 CXCR4 Antagonists Including Heteroatoms for the Treatment of Medical Disorders LIOTTA DENNIS C 2008-09-18 US disclosed
US-20080227799-A1 CXCR4 Antagonists Including Heteroatoms for the Treatment of Medical Disorders LIOTTA DENNIS C 2008-09-18 US disclosed
WO-2008112156-A1 CHEMOKINE RECEPTOR MODULATORS ALTIRIS THERAPEUTICS (US) 2008-09-18 WO disclosed
WO-2008112156-A1 CHEMOKINE RECEPTOR MODULATORS ALTIRIS THERAPEUTICS (US) 2008-09-18 WO disclosed
WO-2008008852-A2 CXCR4 ANTAGONISTS INCLUDING HETEROATOMS 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 (8 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 MEN1 500/4885NPC1 3425/4885RAB9A 3268/4885
US-10632120-B2 Tricyclic amino containing compounds for treatment or prevention of symptoms associated with endocrine dysfunction SHBG, ABAT, GLS MEN1 500/4885NPC1 3425/4885RAB9A 3268/4885
US-20080227799-A1 CXCR4 Antagonists Including Heteroatoms for the Treatment of Medical Disorders CXCL12, CXCR4, CXCR1 MEN1 3076/4885NPC1 574/4885RAB9A 1796/4885
US-20080293711-A1 Chemokine receptor modulators CCR5, CCL2, CXCR4 MEN1 3669/4885NPC1 363/4885RAB9A 1363/4885
US-20070054930-A1 CXCR4 antagonists for the treatment of medical disorders CXCR4, CXCL12, CXCR1 MEN1 2244/4885NPC1 505/4885RAB9A 2008/4885
US-20160058761-A1 Tricyclic Amino Containing Compounds for Treatment or Prevention of Symptoms Associated with Endocrine Dysfunction SHBG, ABAT, GLS MEN1 500/4885NPC1 3425/4885RAB9A 3268/4885
US-11779583-B2 Tricyclic amino containing compounds for treatment or prevention of symptoms associated with endocrine dysfunction SHBG, ABAT, GLS MEN1 500/4885NPC1 3425/4885RAB9A 3268/4885
US-20180104243-A1 Tricyclic Amino Containing Compounds for Treatment or Prevention of Symptoms Associated with Endocrine Dysfunction SHBG, ABAT, GLS MEN1 500/4885NPC1 3425/4885RAB9A 3268/4885

“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.