SCHEMBL6776339

SCHEMBL6776339

CCn1ccc2c1C(O)CCN(CCCN1CCC(c3noc4cc(F)ccc34)CC1)C2=O

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.57
SLC6A4 P31645 1/20 0.56
ACHE P22303 2/20 0.54
HTR2A P28223 11/20 0.54
HTR7 P34969 9/20 0.54
KCNH2 Q12809 8/20 0.54
HTR1A P08908 2/20 0.54
DRD3 P35462 1/20 0.51
HTR6 P50406 1/20 0.51

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
SCHEMBL6780388 0.91 ACHE (0.57) DRD2SLC6A4ACHEHTR2AHTR7
SCHEMBL6780103 0.91 DRD2 (0.57) DRD2SLC6A4ACHEHTR2AHTR7
SCHEMBL6770125 0.90 DRD2 (0.53) DRD2ACHEHTR2AKCNH2HTR1A
SCHEMBL6775053 0.87 DRD2 (0.59) DRD2SLC6A4ACHEHTR2AHTR7
SCHEMBL6773513 0.86 HTR2A (0.54) DRD2SLC6A4ACHEHTR2AHTR7
SCHEMBL6768793 0.86 DRD2 (0.54) DRD2SLC6A4ACHEHTR2AKCNH2
SCHEMBL6773961 0.84 HTR6 (0.56) DRD2SLC6A4ACHEHTR2AHTR7
SCHEMBL6774222 0.83 ACHE (0.57) DRD2SLC6A4ACHEHTR2AHTR7
SCHEMBL6775723 0.83 DRD2 (0.57) DRD2SLC6A4ACHEHTR2AHTR7
SCHEMBL6773495 0.82 ACHE (0.55) DRD2SLC6A4ACHEHTR2AHTR7

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-6713634-B2 SEROTONIN RECEPTOR ANTAGONIST DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2004-03-30 US disclosed
US-20030166926-A1 Pyrroloazepine derivatives SUNTORY LIMITED (JP) 2003-09-04 US disclosed
US-6489473-B2 FOR THERAPY AND PROPHYLAXIS OF ISCHEMIC HEART DISEASES SUCH AS ANGINA PECTORIS, ARRHYTHMIA, MYOCARDIAL INFARCTION, CONGESTIVE HEART FAILURE, CEREBRAL INFARCTION AND CEREBRAL SEQUELAE AFTER SUBARACHNOID HEMORRHAGE, HYPERTENSION SUNTORY LIMITED (JP) 2002-12-03 US disclosed
US-20020072515-A1 Pyrroloazepine derivatives SUNTORY LIMITED (JP) 2002-06-13 US disclosed
EP-0807632-B1 PYRROLOAZEPINE DERIVATIVES SUNTORY LTD (JP) 2002-04-17 EP disclosed
US-6258805-B1 TREATMENT OF BRAIN DISORDERS AND HYPERTENSION SUNTORY LIMITED (JP) 2001-07-10 US disclosed
EP-0807632-A1 PYRROLOAZEPINE DERIVATIVES SUNTORY LIMITED (JP) 1997-11-19 EP 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-20020072515-A1 Pyrroloazepine derivatives TPH2, HTR2A, HTR2C DRD2 34/4885SLC6A4 25/4885ACHE 3150/4885
US-20030166926-A1 Pyrroloazepine derivatives TPH2, HTR2A, HTR2C DRD2 34/4885SLC6A4 24/4885ACHE 3150/4885

“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.