SCHEMBL1433085

SCHEMBL1433085

Brc1cccc(N2CCNCC2)n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 3/20 0.64
HTR3B O95264 3/20 0.64
HTR3A P46098 3/20 0.64
HTR3D Q70Z44 3/20 0.64
HTR3C Q8WXA8 3/20 0.64
ALDH1A1 P00352 2/20 0.64
PLD1 Q13393 1/20 0.53
HTR2C P28335 3/20 0.53
HTR6 P50406 3/20 0.53
ADRB1 P08588 2/20 0.53
KDM4E B2RXH2 1/20 0.53
USP2 O75604 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
HTR1A P08908 1/20 0.53
MAPK1 P28482 1/20 0.53
SLC6A4 P31645 1/20 0.53
HTR7 P34969 1/20 0.53
HTT P42858 1/20 0.53
PMP22 Q01453 1/20 0.53

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 SCHEMBL17610076 0.98 ALDH1A1 (0.62) HTR3EHTR3BHTR3AHTR3DHTR3C
Hydrochloric Acid SCHEMBL29574271 0.98 ALDH1A1 (0.62) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL1778038 0.84 ALDH1A1 (0.60) HTR3EHTR3BHTR3AHTR3DHTR3C
Tert-Butyl Formate SCHEMBL27809072 0.83 HTR3E (0.47) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL29615080 0.82 GRIN2D (0.57) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL419024 0.82 GRIN2D (0.57) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL30569560 0.82 GRIN2D (0.57) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL15321816 0.82 GRIN2D (0.57) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL23770804 0.81 HTR3E (0.64) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL31598802 0.81 GRIN2D (0.56) HTR3EHTR3BHTR3AHTR3DHTR3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322744-A1 COMPOUNDS AS GLP-1R AGONISTS TERNS PHARMACEUTICALS, INC. 2023-10-12 US disclosed
US-20230322744-A1 COMPOUNDS AS GLP-1R AGONISTS TERNS PHARMACEUTICALS, INC. 2023-10-12 US disclosed
EP-3856737-B1 HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN LA ROCHE (CH) 2023-05-17 EP disclosed
WO-2022040600-A1 COMPOUNDS AS GLP-1R AGONISTS TERNS PHARMACEUTICALS, INC. (US) 2022-02-24 WO disclosed
US-20210395239-A1 HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2021-12-23 US disclosed
EP-3856737-A1 HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2021-08-04 EP disclosed
CN-112752755-A Heterocyclyl compounds for the treatment of autoimmune diseases 豪夫迈·罗氏有限公司 2021-05-04 CN disclosed
WO-2020064792-A1 HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2020-04-02 WO disclosed
EP-3193880-B1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL LILLY CO ELI (US) 2020-03-25 EP disclosed
EP-3193880-B1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL LILLY CO ELI (US) 2020-03-25 EP disclosed
US-8168786-B2 1,2,4-triazole- 3,5-dione derivatives; for imaging and therapy of psychiatric, eating, sleeping, bipolar disorder; anxiolytic agent, antidepressant; Alzheimer's, Parkinson's diseases, epilepsy; imaging agents for a serotonin receptor THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2012-05-01 US disclosed
WO-2011140360-A1 RADIOLABELED COMPOUNDS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2011-11-10 WO disclosed
WO-2011140360-A1 RADIOLABELED COMPOUNDS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2011-11-10 WO disclosed
CN-102046601-A Benzene or thiophene derivative and use thereof as VAP-1 inhibitor R TECH UENO LTD 2011-05-04 CN disclosed
EP-2300430-A1 BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R-Tech Ueno, Ltd. (JP) 2011-03-30 EP disclosed
US-20110059957-A1 BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R-TECH UENO, LTD. (JP) 2011-03-10 US disclosed
WO-2009145360-A1 BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R-TECH UENO, LTD. (JP) 2009-12-03 WO disclosed
US-20080138283-A1 Radiolabeled compounds and uses thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2008-06-12 US disclosed
US-20080138283-A1 Radiolabeled compounds and uses thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2008-06-12 US disclosed
WO-1999000386-A1 DOPAMINE D4 RECEPTOR LIGANDS RESOLUTION PHARMACEUTICALS INC. (CA) 1999-01-07 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-20210395239-A1 HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE SSB, HLA-DRB1, UACA HTR3E 4486/4885HTR3B 3635/4885HTR3A 3975/4885
US-20230322744-A1 COMPOUNDS AS GLP-1R AGONISTS GLP1R, GIPR, GCGR HTR3E 265/4885HTR3B 172/4885HTR3A 197/4885
US-20080138283-A1 Radiolabeled compounds and uses thereof HTR5A, SLC18A2, HTR1A HTR3E 25/4885HTR3B 10/4885HTR3A 11/4885
US-20110059957-A1 BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR VAPB, VAPA, BET1 HTR3E 3983/4885HTR3B 4529/4885HTR3A 4568/4885

“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.