SCHEMBL6774748

SCHEMBL6774748

Cn1ccc2c1C(O)CCN(CCCN1CCN(c3cccc(Cl)c3)CC1)C2=O

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.51
HTR1A P08908 6/20 0.49
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
HTR7 P34969 2/20 0.46
DRD2 P14416 1/20 0.46
HTR2A P28223 1/20 0.46
HTR6 P50406 1/20 0.46

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
SCHEMBL6774921 0.90 DRD3 (0.45) HTR1ASLC6A2HTR7DRD2HTR2A
SCHEMBL6773249 0.89 DRD2 (0.51) HTR1ASLC6A2SLC6A4HTR7DRD2
SCHEMBL6774482 0.89 DRD3 (0.51) KCNH2HTR1ASLC6A2SLC6A4HTR7
SCHEMBL6775473 0.89 KCNH2 (0.50) KCNH2HTR1ASLC6A2SLC6A4DRD2
SCHEMBL6772803 0.84 DRD3 (0.44) HTR1AHTR7DRD2HTR2A
SCHEMBL7496420 0.83 LMNA (0.46) HTR1ADRD2
SCHEMBL6622902 0.83 LMNA (0.46) HTR1ADRD2
SCHEMBL6622904 0.83 LMNA (0.46) HTR1ADRD2
SCHEMBL6775115 0.82 DRD3 (0.58) HTR1AHTR7DRD2HTR2AHTR6
SCHEMBL6775033 0.82 DRD3 (0.56) HTR1AHTR7DRD2HTR2AHTR6

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 KCNH2 387/4885HTR1A 6/4885SLC6A2 142/4885
US-20030166926-A1 Pyrroloazepine derivatives TPH2, HTR2A, HTR2C KCNH2 393/4885HTR1A 7/4885SLC6A2 140/4885

“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.