SCHEMBL6779853

SCHEMBL6779853

CCOC1CCN(CCCN2CCN(c3ccc(OC)cc3)CC2)C(=O)c2ccn(Cc3ccccc3)c21

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 7/20 0.54
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
DRD2 P14416 5/20 0.46
HTR2A P28223 2/20 0.46
HTR1A P08908 4/20 0.44
DRD4 P21917 2/20 0.42
DRD1 P21728 1/20 0.42
MAPT P10636 2/20 0.42
ALDH1A1 P00352 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HTR6 P50406 1/20 0.42
KDM4E B2RXH2 1/20 0.42
GLA P06280 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL6775746 0.87 DRD3 (0.46) DRD3ADRA1DADRA1AADRA1BDRD2
SCHEMBL6769651 0.85 DRD3 (0.48) DRD3ADRA1DADRA1AADRA1BDRD2
SCHEMBL6779876 0.85 DRD3 (0.46) DRD3ADRA1DADRA1AADRA1BDRD2
SCHEMBL6773415 0.85 DRD3 (0.45) DRD3ADRA1DADRA1AADRA1BDRD2
SCHEMBL6781480 0.84 ADRA1D (0.43) DRD3ADRA1DADRA1AADRA1BDRD2
SCHEMBL6780181 0.82 DRD3 (0.47) DRD3DRD2HTR2AHTR1ADRD4
SCHEMBL6774934 0.80 HTR1A (0.47) DRD3ADRA1DADRA1AADRA1BDRD2
SCHEMBL6779531 0.80 DRD3 (0.48) DRD3DRD2HTR2AHTR1ADRD4
SCHEMBL6774394 0.79 DRD2 (0.51) DRD3ADRA1DADRA1AADRA1BDRD2
SCHEMBL6779816 0.79 DRD4 (0.47) DRD3DRD2HTR1ADRD4MAPT

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 DRD3 165/4885ADRA1D 203/4885ADRA1A 143/4885
US-20030166926-A1 Pyrroloazepine derivatives TPH2, HTR2A, HTR2C DRD3 173/4885ADRA1D 202/4885ADRA1A 138/4885

“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.