SCHEMBL10055055

SCHEMBL10055055

c1ccc(OCc2ccc(CNc3ncccn3)cc2)nc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ CYP2D6 P10635 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ CXCR4 P61073 1/20 0.51
▸ F2 P00734 1/20 0.47
▸ FABP1 P07148 1/20 0.46
▸ FABP6 P51161 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ MEN1 O00255 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43

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
SCHEMBL10055039 0.86 NPC1 (0.68) NPC1ALDH1A1CYP2D6CYP2C19CXCR4
SCHEMBL10055052 0.81 F2 (0.63) F2MEN1KMT2A
SCHEMBL18429765 0.81 NPC1 (0.58) NPC1ALDH1A1CYP2D6CYP2C19
SCHEMBL14075904 0.80 F2 (0.70) F2MEN1KMT2A
SCHEMBL223680 0.80 ALDH1A1 (0.61) NPC1ALDH1A1CYP2D6CYP2C19MEN1
SCHEMBL29816629 0.80 ALDH1A1 (0.61) NPC1ALDH1A1CYP2D6CYP2C19MEN1
Msx-122 SCHEMBL10054965 0.80 CXCR4 (0.61) NPC1ALDH1A1CXCR4FABP1FABP6
SCHEMBL14075895 0.79 TSHR (0.54) NPC1CXCR4F2FABP1FABP6
SCHEMBL6130101 0.77 NPC1 (0.58) NPC1ALDH1A1CYP2D6CYP2C19MEN1
SCHEMBL21054861 0.77 NPC1 (0.58) NPC1ALDH1A1CYP2D6CYP2C19CXCR4

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 NPC1 3425/4885ALDH1A1 3626/4885CYP2D6 942/4885
US-10632120-B2 Tricyclic amino containing compounds for treatment or prevention of symptoms associated with endocrine dysfunction SHBG, ABAT, GLS NPC1 3425/4885ALDH1A1 3626/4885CYP2D6 942/4885
US-20080227799-A1 CXCR4 Antagonists Including Heteroatoms for the Treatment of Medical Disorders CXCL12, CXCR4, CXCR1 NPC1 574/4885ALDH1A1 1554/4885CYP2D6 4073/4885
US-20070054930-A1 CXCR4 antagonists for the treatment of medical disorders CXCR4, CXCL12, CXCR1 NPC1 505/4885ALDH1A1 1269/4885CYP2D6 4562/4885
US-20160058761-A1 Tricyclic Amino Containing Compounds for Treatment or Prevention of Symptoms Associated with Endocrine Dysfunction SHBG, ABAT, GLS NPC1 3425/4885ALDH1A1 3626/4885CYP2D6 942/4885
US-11779583-B2 Tricyclic amino containing compounds for treatment or prevention of symptoms associated with endocrine dysfunction SHBG, ABAT, GLS NPC1 3425/4885ALDH1A1 3626/4885CYP2D6 942/4885
US-20160002174-A1 CXCR4 Antagonists for the Treatment of Medical Disorders CXCR4, CXCL12, CXCR1 NPC1 505/4885ALDH1A1 1269/4885CYP2D6 4562/4885
US-20180104243-A1 Tricyclic Amino Containing Compounds for Treatment or Prevention of Symptoms Associated with Endocrine Dysfunction SHBG, ABAT, GLS NPC1 3425/4885ALDH1A1 3626/4885CYP2D6 942/4885

“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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