SCHEMBL6743242

SCHEMBL6743242

Brc1ccc2ccn(C3CCOCC3)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 7/20 0.40
HTR6 P50406 1/20 0.38
DGAT1 O75907 1/20 0.36
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36
KDM4C Q9H3R0 1/20 0.36
HTR1D P28221 2/20 0.36
GRM2 Q14416 1/20 0.35
DRD2 P14416 1/20 0.35
SLC6A4 P31645 1/20 0.35
CDC7 O00311 1/20 0.35
CDK2 P24941 1/20 0.35
MAP3K14 Q99558 1/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
BLM P54132 1/20 0.34
HCAR1 Q9BXC0 1/20 0.34
HTR1A P08908 1/20 0.34
HTR1B P28222 1/20 0.34

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
SCHEMBL28674631 0.89 HTR7 (0.47) HTR7HTR6HTR1DDRD2SLC6A4
SCHEMBL2266129 0.88 DGAT1 (0.43) HTR7DGAT1CNR1CNR2KDM4C
SCHEMBL26676818 0.85 HTR7 (0.47) HTR7HTR6HTR1DDRD2SLC6A4
SCHEMBL31324662 0.84 HTR7 (0.51) HTR7HTR6HTR1DDRD2SLC6A4
SCHEMBL21810391 0.84 HTR7 (0.39) HTR7HTR6DGAT1CDC7CDK2
Methane SCHEMBL28163314 0.83 HTR7 (0.50) HTR7HTR6HTR1DDRD2SLC6A4
SCHEMBL3351996 0.81 ASH1L (0.43) DGAT1CNR1CNR2KDM4CHTR1D
SCHEMBL6739735 0.81 HTR7 (0.40) HTR7HTR6HTR1DDRD2SLC6A4
SCHEMBL5871634 0.81 HTR7 (0.40) HTR7HTR6KDM4CHTR1DDRD2
SCHEMBL6742084 0.80 HTR1A (0.51) HTR7HTR6HTR1DDRD2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230339886-A1 REV-ERB AGONISTS FOR THE TREATMENT OF TH17-MEDIATED INFLAMMATORY DISORDERS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2023-10-26 US disclosed
US-20230339886-A1 REV-ERB AGONISTS FOR THE TREATMENT OF TH17-MEDIATED INFLAMMATORY DISORDERS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2023-10-26 US disclosed
WO-2021263278-A1 REV-ERB AGONISTS FOR THE TREATMENT OF TH17-MEDIATED INFLAMMATORY DISORDERS THE SCRIPPS RESEARCH INSTITUTE (US) 2021-12-30 WO disclosed
US-20040167158-A1 Heterocyclic compounds for the treatment of migraine NPS ALLELIX BIOPHARMACEUTICALS, INC. (CA) 2004-08-26 US disclosed
US-6716837-B1 INDOLE AND INDAZOLE COMPOUNDS NPS ALLELIX BIOPHARMACEUTICALS, INC. (CA) 2004-04-06 US disclosed
EP-1196380-A2 INDOLES AND INDAZOLES FOR THE TREATMENT OF MIGRAINE NPS Allelix Corp. (CA) 2002-04-17 EP disclosed
WO-2001005758-A2 INDOLES AND INDAZOLES FOR THE TREATMENT OF MIGRAINE NPS ALLELIX CORP. (CA) 2001-01-25 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 (2 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-20230339886-A1 REV-ERB AGONISTS FOR THE TREATMENT OF TH17-MEDIATED INFLAMMATORY DISORDERS NR1H2, NR1H3, NR1D1 HTR7 3434/4885HTR6 4613/4885DGAT1 1987/4885
US-20040167158-A1 Heterocyclic compounds for the treatment of migraine SCN7A, CNR2, HTR7 HTR7 3/4885HTR6 237/4885DGAT1 3360/4885

“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.