SCHEMBL13337048

SCHEMBL13337048

CC(C)NCCc1cnc[nH]1

nearest known ligand 0.78

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.78
HRH4 Q9H3N8 7/20 0.78
MEN1 O00255 1/20 0.65
ALDH1A1 P00352 1/20 0.65
MAPT P10636 1/20 0.65
KMT2A Q03164 1/20 0.65
QPCT Q16769 1/20 0.56
QPCTL Q9NXS2 1/20 0.56

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
SCHEMBL20079255 0.81 HRH3 (0.62) HRH3HRH4MEN1ALDH1A1MAPT
SCHEMBL14415979 0.79 HRH4 (0.79) HRH3HRH4MEN1ALDH1A1MAPT
SCHEMBL20625882 0.78 HRH3 (0.56) HRH3HRH4MEN1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL1696889 0.77 HRH3 (0.96) HRH3HRH4MEN1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL1677835 0.76 HRH4 (0.57) HRH3HRH4MEN1ALDH1A1MAPT
SCHEMBL26267985 0.76 HRH3 (0.72) HRH3HRH4MEN1ALDH1A1MAPT
SCHEMBL13073926 0.76 HRH3 (0.77) HRH3HRH4MEN1ALDH1A1MAPT
SCHEMBL22894775 0.75 HRH3 (0.52) HRH3HRH4MEN1ALDH1A1MAPT
SCHEMBL14197099 0.75 QPCT (0.69) HRH3HRH4MEN1ALDH1A1MAPT
SCHEMBL8963903 0.75 HRH3 (0.73) HRH3HRH4MEN1ALDH1A1MAPT

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023005280-A1 PREPARATION AND APPLICATION OF AMINOPYRIMIDINE DERIVATIVE SELECTIVELY TARGETING CDK9 中国药科大学 2023-02-02 WO disclosed
EP-3431469-A1 AMIDE COMPOUND AND USE THEREOF AS AGENT FOR THE TREATMENT AND PREVENTION OF DISEASES CAUSED BY RNA- AND/OR DNA-CONTAINING VIRUSES, AND CONCOMITANT DISEASES Obschestvo S Ogranichennoi Otvetstennostiyu "Pharmenterprises" (RU) 2019-01-23 EP disclosed
US-20170183318-A1 AMIDE COMPOUNDS, METHODS FOR PREPARATION, AND USE THEREOF AS AGENTS FOR THE TREATMENT AND PREVENTION OF DISEASES CAUSED BY RNA- AND/OR DNA-CONTAINING VIRUSES, AND CONCOMITANT DISEASES OBSCHESTVO S OGRANICHENNOI OTVETSTVENNOSTIYU "PHARMENTERPRISES" (RU) 2017-06-29 US disclosed
US-20170183318-A1 AMIDE COMPOUNDS, METHODS FOR PREPARATION, AND USE THEREOF AS AGENTS FOR THE TREATMENT AND PREVENTION OF DISEASES CAUSED BY RNA- AND/OR DNA-CONTAINING VIRUSES, AND CONCOMITANT DISEASES OBSCHESTVO S OGRANICHENNOI OTVETSTVENNOSTIYU "PHARMENTERPRISES" (RU) 2017-06-29 US disclosed
EP-3118211-A1 AMIDE COMPOUNDS AND METHODS FOR THE PRODUCTION AND USE THEREOF Obschestvo S Ogranichennoi Otvetstennostiyu "Pharmenterprises" (RU) 2017-01-18 EP disclosed
US-9376418-B2 Substituted pyridine spleen tyrosine kinase (SYK) inhibitors MERCK SHARP & DOHME CORP. (US) 2016-06-28 US disclosed
US-20150148327-A1 SUBSTITUTED PYRIDINE SPLEEN TYROSINE KINASE (SYK) INHIBITORS MERCK CANADA INC. (CA) 2015-05-28 US disclosed
US-20100130469-A1 2, 6-NAPHTHRIDINE DERIVATIVES VAN EIS MAURICE 2010-05-27 US disclosed
US-20070060553-A1 3-Nitrogen-6,7-dioxygen steroids and uses related thereto INFLAZYME PHARMACEUTICALS LTD. (CA) 2007-03-15 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 (4 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-20170183318-A1 AMIDE COMPOUNDS, METHODS FOR PREPARATION, AND USE THEREOF AS AGENTS FOR THE TREATMENT AND PREVENTION OF DISEASES CAUSED BY RNA- AND/OR DNA-CONTAINING VIRUSES, AND CONCOMITANT DISEASES ACE, ACE2, MCTS1 HRH3 145/4885HRH4 85/4885MEN1 1875/4885
US-20100130469-A1 2, 6-NAPHTHRIDINE DERIVATIVES PKN1, PKN2, CDK9 HRH3 3285/4885HRH4 3887/4885MEN1 1566/4885
US-20070060553-A1 3-Nitrogen-6,7-dioxygen steroids and uses related thereto CYP2S1, OXER1, NOS1 HRH3 312/4885HRH4 240/4885MEN1 2759/4885
US-20150148327-A1 SUBSTITUTED PYRIDINE SPLEEN TYROSINE KINASE (SYK) INHIBITORS SYK, BTK, LYN HRH3 485/4885HRH4 481/4885MEN1 4348/4885

“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.