SCHEMBL10055052

SCHEMBL10055052

c1ccc(OCc2ccc(CNc3ncccn3)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.63
▸ BCHE P06276 3/20 0.59
▸ APP P05067 1/20 0.58
▸ MAPT P10636 2/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ TP53 P04637 1/20 0.56
▸ GAA P10253 1/20 0.56
▸ BLM P54132 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ ATM Q13315 1/20 0.56
▸ MAPK1 P28482 1/20 0.52
▸ CA12 O43570 1/20 0.49
▸ CA1 P00915 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ CA9 Q16790 1/20 0.49

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
SCHEMBL14075904 0.95 F2 (0.70) F2BCHEMAPTMEN1TP53
SCHEMBL14075918 0.85 APP (0.58) F2BCHEAPPMEN1KMT2A
SCHEMBL14075899 0.85 BCHE (0.54) F2BCHEMAPTMEN1TP53
SCHEMBL7318445 0.85 CXCR4 (0.72) F2BCHEAPPMAPTMEN1
SCHEMBL14075895 0.84 TSHR (0.54) F2BCHEMEN1KMT2A
SCHEMBL15458727 0.82 MAPT (0.73) F2BCHEAPPMAPTMEN1
SCHEMBL10055055 0.81 NPC1 (0.54) F2MEN1KMT2A
SCHEMBL1413125 0.81 FABP1 (0.67) MEN1KMT2A
Msx-122 SCHEMBL10054965 0.81 CXCR4 (0.61) MEN1KMT2A
SCHEMBL28475529 0.79 FABP1 (0.64) MEN1KMT2A

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 26 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
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-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
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-8114884-B2 CXCR4 antagonists for the treatment of medical disorders EMORY UNIVERSITY (US) 2012-02-14 — — US disclosed
US-8114884-B2 CXCR4 antagonists for the treatment of medical disorders EMORY UNIVERSITY (US) 2012-02-14 — — 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-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-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 F2 867/4885BCHE 188/4885APP 4813/4885
US-10632120-B2 Tricyclic amino containing compounds for treatment or prevention of symptoms associated with endocrine dysfunction SHBG, ABAT, GLS F2 867/4885BCHE 188/4885APP 4813/4885
US-20080227799-A1 CXCR4 Antagonists Including Heteroatoms for the Treatment of Medical Disorders CXCL12, CXCR4, CXCR1 F2 3871/4885BCHE 4819/4885APP 4065/4885
US-20070054930-A1 CXCR4 antagonists for the treatment of medical disorders CXCR4, CXCL12, CXCR1 F2 3812/4885BCHE 4805/4885APP 3684/4885
US-20160058761-A1 Tricyclic Amino Containing Compounds for Treatment or Prevention of Symptoms Associated with Endocrine Dysfunction SHBG, ABAT, GLS F2 867/4885BCHE 188/4885APP 4813/4885
US-11779583-B2 Tricyclic amino containing compounds for treatment or prevention of symptoms associated with endocrine dysfunction SHBG, ABAT, GLS F2 867/4885BCHE 188/4885APP 4813/4885
US-20160002174-A1 CXCR4 Antagonists for the Treatment of Medical Disorders CXCR4, CXCL12, CXCR1 F2 3812/4885BCHE 4805/4885APP 3684/4885
US-20180104243-A1 Tricyclic Amino Containing Compounds for Treatment or Prevention of Symptoms Associated with Endocrine Dysfunction SHBG, ABAT, GLS F2 867/4885BCHE 188/4885APP 4813/4885

“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.

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