SCHEMBL6775746

SCHEMBL6775746

COC1CCN(CCCN2CCN(c3ccccc3)CC2)C(=O)c2ccn(Cc3ccccc3)c21

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 9/20 0.46
HTR1A P08908 6/20 0.45
DRD2 P14416 4/20 0.45
DRD5 P21918 2/20 0.45
HTR7 P34969 2/20 0.45
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
DRD1 P21728 1/20 0.43
DRD4 P21917 1/20 0.42
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL6779876 0.95 DRD3 (0.46) DRD3HTR1ADRD2DRD5HTR7
SCHEMBL6769651 0.95 DRD3 (0.48) DRD3HTR1ADRD2DRD5HTR7
SCHEMBL6773415 0.94 DRD3 (0.45) DRD3HTR1ADRD2DRD5HTR7
SCHEMBL6779531 0.91 DRD3 (0.48) DRD3HTR1ADRD2DRD5HTR7
SCHEMBL6774934 0.88 HTR1A (0.47) DRD3HTR1ADRD2DRD5HTR7
SCHEMBL6776057 0.88 DRD3 (0.50) DRD3HTR1ADRD2DRD5HTR7
SCHEMBL6775756 0.87 DRD3 (0.49) DRD3HTR1ADRD2DRD5HTR7
SCHEMBL6779853 0.87 DRD3 (0.54) DRD3HTR1ADRD2DRD1DRD4
SCHEMBL6781480 0.85 ADRA1D (0.43) DRD3HTR1ADRD2DRD5HTR7
SCHEMBL6773622 0.84 SLC6A2 (0.42) DRD3HTR1ADRD2DRD5HTR7

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 8 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
US-5962448-A Pyrroloazepine derivatives SUNTORY LIMITED (JP) 1999-10-05 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 DRD3 165/4885HTR1A 6/4885DRD2 34/4885
US-20030166926-A1 Pyrroloazepine derivatives TPH2, HTR2A, HTR2C DRD3 173/4885HTR1A 7/4885DRD2 34/4885

“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.