SCHEMBL6774002

SCHEMBL6774002

Cn1ccc2c1CCCN(CCCN1CCN(c3cccc(Cl)c3)CC1)C2=O

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.54
DRD1 P21728 1/20 0.53
DRD3 P35462 1/20 0.53
HTR1A P08908 5/20 0.52
HTR2A P28223 4/20 0.52
DRD2 P14416 2/20 0.52

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
SCHEMBL6774014 0.89 DRD3 (0.55) DRD1DRD3HTR1AHTR2ADRD2
SCHEMBL6773801 0.89 DRD3 (0.53) DRD1DRD3HTR1AHTR2ADRD2
SCHEMBL6780756 0.89 HTR1A (0.58) DRD1DRD3HTR1AHTR2ADRD2
SCHEMBL6776156 0.82 DRD3 (0.53) DRD1DRD3HTR1AHTR2ADRD2
SCHEMBL6773398 0.82 DRD3 (0.53) DRD1DRD3HTR1AHTR2ADRD2
SCHEMBL6774748 0.82 KCNH2 (0.51) KCNH2HTR1AHTR2ADRD2
SCHEMBL6768560 0.81 DRD3 (0.70) DRD1DRD3HTR1AHTR2ADRD2
SCHEMBL5178283 0.81 KCNH2 (0.67) KCNH2DRD3DRD2
SCHEMBL6775427 0.81 DRD3 (0.53) DRD1DRD3HTR1AHTR2ADRD2
SCHEMBL6774523 0.81 DRD3 (0.69) DRD1DRD3HTR1AHTR2ADRD2

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 387/4885DRD1 141/4885DRD3 165/4885
US-20030166926-A1 Pyrroloazepine derivatives TPH2, HTR2A, HTR2C KCNH2 393/4885DRD1 145/4885DRD3 173/4885

“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.