SCHEMBL1828054

SCHEMBL1828054

OCCCN1CCc2ccccc2C1

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.61
HTR7 P34969 7/20 0.61
DRD3 P35462 7/20 0.61
DRD2 P14416 6/20 0.61
HTR2B P41595 6/20 0.61
HTR2A P28223 5/20 0.61
HRH1 P35367 5/20 0.61
SLC6A4 P31645 2/20 0.61
HDAC3 O15379 2/20 0.58
HDAC1 Q13547 2/20 0.58
HDAC8 Q9BY41 2/20 0.58
NCOR2 Q9Y618 2/20 0.58
HDAC2 Q92769 1/20 0.58
HTR5A P47898 1/20 0.56
HRH3 Q9Y5N1 1/20 0.56
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55

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
SCHEMBL30305062 1.00 HTR1A (0.61) HTR1AHTR7DRD3DRD2HTR2B
Hydrochloric Acid SCHEMBL22527658 0.98 HTR1A (0.60) HTR1AHTR7DRD3DRD2HTR2B
Bromide SCHEMBL6523006 0.98 HTR1A (0.60) HTR1AHTR7DRD3DRD2HTR2B
Hydrochloric Acid SCHEMBL30541930 0.98 HTR1A (0.60) HTR1AHTR7DRD3DRD2HTR2B
Acetic Acid SCHEMBL6524435 0.91 DRD3 (0.64) HTR1AHTR7DRD3DRD2HTR2B
SCHEMBL1193409 0.89 HDAC3 (0.59) HTR1AHTR7DRD3DRD2HTR2B
SCHEMBL30381429 0.89 HDAC3 (0.59) HTR1AHTR7DRD3DRD2HTR2B
Bromide SCHEMBL6522977 0.87 HDAC3 (0.58) HTR1AHTR7DRD3DRD2HTR2B
SCHEMBL6526310 0.87 HTR7 (0.65) HTR1AHTR7DRD3DRD2HTR2B
SCHEMBL9378373 0.87 ALDH1A1 (0.58) HTR1AHTR7DRD3DRD2HTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4491665-A QUARTERNIZATION, ESTERIFICATION BURROUGHS WELLCOME CO. (US) 1985-01-01 US claimed
CN-110650950-B Compounds for the treatment or prophylaxis of PRMT5 mediated diseases 阿古诺治疗有限公司 2023-09-19 CN disclosed
EP-3596061-B1 COMPOUNDS USEFUL IN THE TREATMENT OR PREVENTION OF A PRMT5-MEDIATED DISORDER ARGONAUT THERAPEUTICS LTD (GB) 2023-09-06 EP disclosed
EP-3498701-B1 PRMT5 INHIBITORS AND USES THEREOF EPIZYME INC (US) 2023-02-22 EP disclosed
WO-2021254493-A1 CYCLIC COMPOUND HAVING ANTI-TUMOR ACTIVITY AND USE THEREOF 上海翊石医药科技有限公司 2021-12-23 WO disclosed
US-20200325128-A1 COMPOUNDS USEFUL IN THE TREATMENT OR PREVENTION OF A PRMT5-MEDIATED DISORDER Argonaut Therapeutics Limited (GB) 2020-10-15 US disclosed
CN-110650950-A Compounds for treating or preventing PRMT5 mediated diseases 阿古诺治疗有限公司 2020-01-03 CN disclosed
EP-2935243-B1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF EPIZYME INC (US) 2018-03-14 EP disclosed
US-9388173-B2 PRMT5 inhibitors and uses thereof Epizyme, Inc. (US) 2016-07-12 US disclosed
US-9365555-B2 PRMT5 inhibitors and uses thereof Epizyme, Inc. 2016-06-14 US disclosed
US-20150133427-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2015-05-14 US disclosed
US-8906900-B2 PRMT5 inhibitors and uses thereof Epizyme, Inc. (US) 2014-12-09 US disclosed
US-20140228343-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2014-08-14 US disclosed
US-20140213582-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2014-07-31 US disclosed
EP-2315614-A1 CATIONIC DIHYDROISOQUINOLINIUM DERIVATIVES FOR USE AS BLEACH ACTIVATORS Henkel AG & Co. KGaA (DE) 2011-05-04 EP disclosed
WO-2010022995-A1 CATIONIC DIHYDROISOQUINOLINIUM DERIVATIVES FOR USE AS BLEACH ACTIVATORS HENKEL AG & CO. KGAA (DE) 2010-03-04 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 (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-20150133427-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 HTR1A 4598/4885HTR7 4142/4885DRD3 4841/4885
US-20140228343-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 HTR1A 4598/4885HTR7 4142/4885DRD3 4841/4885
US-20200325128-A1 COMPOUNDS USEFUL IN THE TREATMENT OR PREVENTION OF A PRMT5-MEDIATED DISORDER PRMT5, PRMT6, PRMT1 HTR1A 4581/4885HTR7 4365/4885DRD3 4695/4885
US-20140213582-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 HTR1A 4598/4885HTR7 4142/4885DRD3 4841/4885

“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.