SCHEMBL6773771

SCHEMBL6773771

O=C1c2cn(Cc3ccccc3)cc2C=CCN1CCCN1CCN(c2ccc(O)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.47
DRD3 P35462 5/20 0.43
HTR1A P08908 5/20 0.43
DRD2 P14416 2/20 0.43
DRD5 P21918 2/20 0.43
HTR7 P34969 3/20 0.42
SIGMAR1 Q99720 1/20 0.40
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
ME1 P48163 1/20 0.39

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
SCHEMBL6769936 0.93 HTR1A (0.49) DRD4DRD3HTR1ADRD2DRD5
SCHEMBL6773192 0.92 DRD2 (0.52) DRD4DRD3HTR1ADRD2DRD5
SCHEMBL6772928 0.91 KDM4E (0.47) DRD3HTR1ADRD2DRD5HTR7
SCHEMBL6774319 0.87 HTR7 (0.43) DRD3HTR1ADRD2DRD5HTR7
SCHEMBL6773737 0.86 DRD3 (0.42) DRD3HTR1ADRD2DRD5HTR7
SCHEMBL6776196 0.82 DRD4 (0.47) DRD4DRD3HTR1ADRD2DRD5
SCHEMBL6779371 0.81 DRD3 (0.53) DRD4DRD3HTR1ADRD2DRD5
SCHEMBL6773685 0.81 DRD3 (0.55) DRD4DRD3HTR1ADRD2DRD5
SCHEMBL6768576 0.79 DRD4 (0.47) DRD4DRD3HTR1ADRD2DRD5
SCHEMBL6776260 0.78 DRD4 (0.45) DRD4DRD3HTR1ADRD2DRD5

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 DRD4 152/4885DRD3 165/4885HTR1A 6/4885
US-20030166926-A1 Pyrroloazepine derivatives TPH2, HTR2A, HTR2C DRD4 167/4885DRD3 173/4885HTR1A 7/4885

“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.