SCHEMBL10055003

SCHEMBL10055003

Cc1c(C)c(CNc2ccccc2)c(C)c(C)c1CNc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.52
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47
MAPT P10636 2/20 0.46
ALDH1A1 P00352 1/20 0.46
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
HIF1A Q16665 1/20 0.44
LTA4H P09960 1/20 0.42
TAAR1 Q96RJ0 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 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
SCHEMBL22279019 0.95 HTT (0.52) HTTMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL10055006 0.78 MAPT (0.48) HTTMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL145676 0.74 HIF1A (0.43) HTTMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL30339949 0.74 ALDH1A1 (0.50) HTTMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL22278925 0.74 ALDH1A1 (0.44) HTTMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL4943568 0.74 MAPT (0.56) HTTMEN1KMT2AMAPTALDH1A1
SCHEMBL24426837 0.74 HTT (0.42) HTTMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL4926760 0.74 MAPT (0.47) HTTMEN1CYP3A4KMT2AMAPT
SCHEMBL23222180 0.73 MEN1 (0.56) MEN1KMT2AMAPTALDH1A1NPC1
SCHEMBL11080258 0.73 MAPT (0.52) HTTMEN1KMT2AMAPTALDH1A1

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 28 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
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-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
US-20090099194-A1 CXCR4 Antagonists Including Diazine And Triazine Structures For The Treatment Of Medical Disorders EMORY UNIVERSITY 2009-04-16 US disclosed
US-20090099194-A1 CXCR4 Antagonists Including Diazine And Triazine Structures For The Treatment Of Medical Disorders EMORY UNIVERSITY 2009-04-16 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 HTT 2182/4885MEN1 500/4885CYP1A2 1737/4885
US-10632120-B2 Tricyclic amino containing compounds for treatment or prevention of symptoms associated with endocrine dysfunction SHBG, ABAT, GLS HTT 2182/4885MEN1 500/4885CYP1A2 1737/4885
US-20070054930-A1 CXCR4 antagonists for the treatment of medical disorders CXCR4, CXCL12, CXCR1 HTT 3705/4885MEN1 2244/4885CYP1A2 4753/4885
US-20160058761-A1 Tricyclic Amino Containing Compounds for Treatment or Prevention of Symptoms Associated with Endocrine Dysfunction SHBG, ABAT, GLS HTT 2182/4885MEN1 500/4885CYP1A2 1737/4885
US-11779583-B2 Tricyclic amino containing compounds for treatment or prevention of symptoms associated with endocrine dysfunction SHBG, ABAT, GLS HTT 2182/4885MEN1 500/4885CYP1A2 1737/4885
US-20160002174-A1 CXCR4 Antagonists for the Treatment of Medical Disorders CXCR4, CXCL12, CXCR1 HTT 3705/4885MEN1 2244/4885CYP1A2 4753/4885
US-20180104243-A1 Tricyclic Amino Containing Compounds for Treatment or Prevention of Symptoms Associated with Endocrine Dysfunction SHBG, ABAT, GLS HTT 2182/4885MEN1 500/4885CYP1A2 1737/4885
US-20090099194-A1 CXCR4 Antagonists Including Diazine And Triazine Structures For The Treatment Of Medical Disorders CXCR4, CXCL12, CCR5 HTT 2306/4885MEN1 1744/4885CYP1A2 4268/4885

“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.