SCHEMBL6884485

SCHEMBL6884485

CN1CCN(c2nsc3ccccc23)CC1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.65
MAPT P10636 1/20 0.65
HTR1A P08908 3/20 0.55
DRD2 P14416 2/20 0.55
HTR2A P28223 2/20 0.55
DRD3 P35462 1/20 0.55
HTR7 P34969 2/20 0.54
SORD Q00796 2/20 0.54
HTR6 P50406 1/20 0.54

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
Hydrochloric Acid SCHEMBL8401502 0.98 KDM4E (0.68) KDM4EMAPTHTR1ADRD2HTR2A
SCHEMBL4558892 0.84 KDM4E (0.71) KDM4EMAPTHTR1ADRD2HTR2A
SCHEMBL11637734 0.83 KDM4E (0.65) KDM4EMAPTHTR1ADRD2HTR2A
SCHEMBL20428029 0.83 KDM4E (0.65) KDM4EMAPTHTR1ADRD2HTR2A
SCHEMBL13591224 0.83 KDM4E (0.65) KDM4EMAPTHTR1ADRD2HTR2A
SCHEMBL10845197 0.83 HTR1A (0.62) HTR1ADRD2HTR2ADRD3HTR7
SCHEMBL7771352 0.83 KDM4E (0.60) KDM4EMAPTHTR1ADRD2HTR2A
SCHEMBL8145185 0.83 KDM4E (0.60) KDM4EMAPTHTR1ADRD2HTR2A
SCHEMBL1837722 0.83 KDM4E (0.60) KDM4EMAPTHTR1ADRD2HTR2A
SCHEMBL10844660 0.83 KDM4E (0.60) KDM4EMAPTHTR1ADRD2HTR2A

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4590196-A NON-OPIATE BRISTOL-MYERS COMPANY (US) 1986-05-20 US claimed
US-4104388-A ANTIINFLAMMATORY E. R. SQUIBB & SONS, INC. (US) 1978-08-01 US claimed
EP-3250209-B1 COMT INHIBITING METHODS AND COMPOSITIONS LIEBER INST FOR BRAIN DEVELOPMENT (US) 2023-09-13 EP disclosed
WO-2023135528-A1 HETEROALICYCLIC DERIVATIVES AND THEIR USE IN THE TREATMENT OF CNS DISORDERS SUVEN LIFE SCIENCES LIMITED (IN) 2023-07-20 WO disclosed
US-20230203007-A1 PYRIDINYLACETAMIDE DERIVATIVES AS SODIUM CHANNEL ACTIVATORS X-CHEM GLOBAL HQ 2023-06-29 US disclosed
US-20230203007-A1 PYRIDINYLACETAMIDE DERIVATIVES AS SODIUM CHANNEL ACTIVATORS X-CHEM GLOBAL HQ 2023-06-29 US disclosed
US-20220017471-A1 FUNCTIONALITY INDEPENDENT LABELING OF ORGANIC COMPOUNDS UNIV SHANGHAI TECHNOLOGY (CN) 2022-01-20 US disclosed
US-10479790-B2 COMT inhibiting methods and compositions LIEBER INSTITUTE FOR BRAIN DEVELOPMENT (US) 2019-11-19 US disclosed
US-10035799-B2 COMT inhibiting methods and compositions LIEBER INSTITUTE FOR BRAIN DEVELOPMENT (US) 2018-07-31 US disclosed
WO-2017154021-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF LURASIDONE BASE AND ITS SALT ZCL CHEMICALS LTD. (IN) 2017-09-14 WO disclosed
US-20160222011-A1 COMT Inhibiting Methods and Compositions LIEBER INSTITUTE, INC. 2016-08-04 US disclosed
EP-1884242-B1 PHARMACEUTICAL COMPOSITION COMPRISING LURASIDONE DAINIPPON SUMITOMO PHARMA CO (JP) 2013-04-17 EP disclosed
US-8383638-B2 Aminobenzoquinazolinone M1 receptor positive allosteric modulators MERCK SHARP & DOHME (US) 2013-02-26 US disclosed
US-8383638-B2 Aminobenzoquinazolinone M1 receptor positive allosteric modulators MERCK SHARP & DOHME (US) 2013-02-26 US disclosed
US-20120264761-A1 Aminobenzoquinazolinone M1 Receptor Positive Allosteric Modulators MERCK SHARP & DOHME LLC 2012-10-18 US disclosed
US-20120264761-A1 Aminobenzoquinazolinone M1 Receptor Positive Allosteric Modulators MERCK SHARP & DOHME LLC 2012-10-18 US disclosed
WO-2011084371-A1 AMINOBENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 WO disclosed
WO-2010073255-A1 PROCESS FOR PREPARING ZIPRASIDONE CADILA HEALTHCARE LIMITED (IN) 2010-07-01 WO disclosed
EP-1950199-A1 Proline derivatives and use thereof as drugs Mitsubishi Tanabe Pharma Corporation (JP) 2008-07-30 EP disclosed
US-4104388-A ANTIINFLAMMATORY E. R. SQUIBB & SONS, INC. (US) 1978-08-01 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 (6 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-20120264761-A1 Aminobenzoquinazolinone M1 Receptor Positive Allosteric Modulators CHRM1, OPRL1, MTNR1B KDM4E 895/4885MAPT 574/4885HTR1A 30/4885
US-20220017471-A1 FUNCTIONALITY INDEPENDENT LABELING OF ORGANIC COMPOUNDS PAICS, PFAS, OTC KDM4E 2511/4885MAPT 2746/4885HTR1A 3579/4885
US-10035799-B2 COMT inhibiting methods and compositions COMT, SLC6A3, MAOA KDM4E 1957/4885MAPT 1246/4885HTR1A 125/4885
US-20230203007-A1 PYRIDINYLACETAMIDE DERIVATIVES AS SODIUM CHANNEL ACTIVATORS SCN1A, SCN3A, SCN2A KDM4E 2085/4885MAPT 236/4885HTR1A 343/4885
US-20160222011-A1 COMT Inhibiting Methods and Compositions COMT, SLC6A3, MAOA KDM4E 1957/4885MAPT 1246/4885HTR1A 125/4885
US-10479790-B2 COMT inhibiting methods and compositions COMT, SLC6A3, MAOA KDM4E 1957/4885MAPT 1246/4885HTR1A 125/4885

“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.