SCHEMBL589267

SCHEMBL589267

NC(c1ccc(C(N)c2ccccn2)cc1)c1ccccn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.54
SLC6A2 P23975 2/20 0.54
SLC6A4 P31645 2/20 0.54
KCNA5 P22460 4/20 0.42
TSHR P16473 2/20 0.42
KCNE1 P15382 1/20 0.42
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ABCB11 O95342 1/20 0.41
LMNA P02545 1/20 0.41
ESR1 P03372 1/20 0.41
CYP3A4 P08684 1/20 0.41
ADRA2A P08913 1/20 0.41

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
SCHEMBL3384423 0.93 SLC6A2 (0.63) SLC6A3SLC6A2SLC6A4KCNA5TSHR
SCHEMBL2111803 0.93 SLC6A2 (0.63) SLC6A3SLC6A2SLC6A4KCNA5TSHR
SCHEMBL6766141 0.93 SLC6A2 (0.63) SLC6A3SLC6A2SLC6A4KCNA5TSHR
Hydrochloric Acid SCHEMBL1421214 0.91 SLC6A2 (0.61) SLC6A3SLC6A2SLC6A4KCNA5TSHR
Hydrochloric Acid SCHEMBL4509965 0.91 SLC6A2 (0.61) SLC6A3SLC6A2SLC6A4KCNA5TSHR
Hydrochloric Acid SCHEMBL7226415 0.91 SLC6A2 (0.61) SLC6A3SLC6A2SLC6A4KCNA5TSHR
SCHEMBL6530520 0.90 SLC6A3 (0.46) SLC6A3SLC6A2SLC6A4KCNA5TSHR
SCHEMBL6775380 0.90 SLC6A3 (0.46) SLC6A3SLC6A2SLC6A4KCNA5TSHR
SCHEMBL6776456 0.90 SLC6A3 (0.46) SLC6A3SLC6A2SLC6A4KCNA5TSHR
SCHEMBL10557226 0.90 SLC6A2 (0.51) SLC6A3SLC6A2SLC6A4TSHRNPSR1

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 23 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-11285151-B2 Tricyclic amino containing compounds for treatment or prevention of symptoms associated with endocrine dysfunction EMORY UNIVERSITY (US) 2022-03-29 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
EP-2776387-A1 TRICYCLIC AMINO CONTAINING COMPOUNDS FOR TREATMENT OR PREVENTION OF SYMPTOMS ASSOCIATED WITH ENDOCRINE DYSFUNCTION Emory University (US) 2014-09-17 EP 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
EP-1838321-A4 CXCR4 ANTAGONISTS FOR THE TREATMENT OF HIV INFECTION UNIV EMORY (US) 2009-03-18 EP disclosed
EP-1838320-A4 CXCR4 ANTAGONISTS FOR THE TREATMENT OF MEDICAL DISORDERS UNIV EMORY (US) 2009-03-18 EP disclosed
EP-1838321-A2 CXCR4 ANTAGONISTS FOR THE TREATMENT OF HIV INFECTION EMORY UNIVERSITY (US) 2007-10-03 EP disclosed
EP-1838320-A2 CXCR4 ANTAGONISTS FOR THE TREATMENT OF MEDICAL DISORDERS EMORY UNIVERSITY (US) 2007-10-03 EP disclosed
US-20070054930-A1 CXCR4 antagonists for the treatment of medical disorders EMORY UNIVERSITY 2007-03-08 US disclosed
US-20060264451-A1 CXCR4 antagonists for the treatment of HIV infection EMORY UNIVERSITY 2006-11-23 US disclosed
WO-2006074428-A2 CXCR4 ANTAGONISTS FOR THE TREATMENT OF MEDICAL DISORDERS EMORY UNIVERSITY (US) 2006-07-13 WO disclosed
WO-2006074426-A2 CXCR4 ANTAGONISTS FOR THE TREATMENT OF HIV INFECTION EMORY UNIVERSITY (US) 2006-07-13 WO 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 SLC6A3 285/4885SLC6A2 217/4885SLC6A4 30/4885
US-20060264451-A1 CXCR4 antagonists for the treatment of HIV infection CXCR4, CXCL12, CCR5 SLC6A3 1051/4885SLC6A2 1395/4885SLC6A4 1541/4885
US-11285151-B2 Tricyclic amino containing compounds for treatment or prevention of symptoms associated with endocrine dysfunction SHBG, ABAT, GLS SLC6A3 285/4885SLC6A2 217/4885SLC6A4 30/4885
US-10632120-B2 Tricyclic amino containing compounds for treatment or prevention of symptoms associated with endocrine dysfunction SHBG, ABAT, GLS SLC6A3 285/4885SLC6A2 217/4885SLC6A4 30/4885
US-20070054930-A1 CXCR4 antagonists for the treatment of medical disorders CXCR4, CXCL12, CXCR1 SLC6A3 2508/4885SLC6A2 2808/4885SLC6A4 3721/4885
US-20160058761-A1 Tricyclic Amino Containing Compounds for Treatment or Prevention of Symptoms Associated with Endocrine Dysfunction SHBG, ABAT, GLS SLC6A3 285/4885SLC6A2 217/4885SLC6A4 30/4885
US-11779583-B2 Tricyclic amino containing compounds for treatment or prevention of symptoms associated with endocrine dysfunction SHBG, ABAT, GLS SLC6A3 285/4885SLC6A2 217/4885SLC6A4 30/4885
US-20160002174-A1 CXCR4 Antagonists for the Treatment of Medical Disorders CXCR4, CXCL12, CXCR1 SLC6A3 2508/4885SLC6A2 2808/4885SLC6A4 3721/4885
US-20180104243-A1 Tricyclic Amino Containing Compounds for Treatment or Prevention of Symptoms Associated with Endocrine Dysfunction SHBG, ABAT, GLS SLC6A3 285/4885SLC6A2 217/4885SLC6A4 30/4885

“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.