SCHEMBL10055040

SCHEMBL10055040

O=C(O)c1cccc(NCc2ccc(CNc3cccc(C(=O)O)c3)cc2)c1

nearest known ligand 0.93

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.68
PPARA Q07869 12/20 0.67
AKR1C3 P42330 1/20 0.63
MRGPRX4 Q96LA9 1/20 0.61
HIF1A Q16665 1/20 0.61

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
SCHEMBL15458722 0.97 HIF1A (0.67) FFAR1PPARAAKR1C3MRGPRX4HIF1A
SCHEMBL2185809 0.95 FFAR1 (0.70) FFAR1PPARAAKR1C3MRGPRX4HIF1A
SCHEMBL2188996 0.92 PPARA (0.79) FFAR1PPARAAKR1C3MRGPRX4
SCHEMBL12581587 0.91 MRGPRX4 (0.73) FFAR1PPARAAKR1C3MRGPRX4HIF1A
SCHEMBL14758954 0.91 FFAR1 (0.70) FFAR1PPARAAKR1C3MRGPRX4HIF1A
SCHEMBL14950693 0.91 PPARA (0.62) FFAR1PPARA
SCHEMBL17131810 0.89 MEN1 (0.58) FFAR1PPARAAKR1C3MRGPRX4HIF1A
SCHEMBL2309613 0.88 PPARA (0.86) FFAR1PPARAHIF1A
SCHEMBL31227759 0.88 PPARA (0.73) FFAR1PPARA
SCHEMBL9396971 0.88 FFAR1 (0.60) FFAR1PPARAAKR1C3MRGPRX4HIF1A

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 19 patents. 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-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-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
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 (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 FFAR1 1788/4885PPARA 1986/4885AKR1C3 1700/4885
US-10632120-B2 Tricyclic amino containing compounds for treatment or prevention of symptoms associated with endocrine dysfunction SHBG, ABAT, GLS FFAR1 1788/4885PPARA 1986/4885AKR1C3 1700/4885
US-20070054930-A1 CXCR4 antagonists for the treatment of medical disorders CXCR4, CXCL12, CXCR1 FFAR1 358/4885PPARA 567/4885AKR1C3 1503/4885
US-20160058761-A1 Tricyclic Amino Containing Compounds for Treatment or Prevention of Symptoms Associated with Endocrine Dysfunction SHBG, ABAT, GLS FFAR1 1788/4885PPARA 1986/4885AKR1C3 1700/4885
US-11779583-B2 Tricyclic amino containing compounds for treatment or prevention of symptoms associated with endocrine dysfunction SHBG, ABAT, GLS FFAR1 1788/4885PPARA 1986/4885AKR1C3 1700/4885
US-20160002174-A1 CXCR4 Antagonists for the Treatment of Medical Disorders CXCR4, CXCL12, CXCR1 FFAR1 358/4885PPARA 567/4885AKR1C3 1503/4885
US-20140039187-A1 CXCR4 ANTAGONISTS FOR THE TREATMENT OF MEDICAL DISORDERS CXCR4, CXCL12, CXCR1 FFAR1 358/4885PPARA 567/4885AKR1C3 1503/4885
US-20180104243-A1 Tricyclic Amino Containing Compounds for Treatment or Prevention of Symptoms Associated with Endocrine Dysfunction SHBG, ABAT, GLS FFAR1 1788/4885PPARA 1986/4885AKR1C3 1700/4885

“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.