SCHEMBL6775427

SCHEMBL6775427

Cn1ccc2c1CCCN(CCCCN1CCN(c3ccc(F)cc3)CC1)C2=O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 7/20 0.53
DRD2 P14416 5/20 0.52
HTR1A P08908 4/20 0.52
HTR2A P28223 3/20 0.52
DRD1 P21728 1/20 0.46
DRD4 P21917 1/20 0.46
ADRA1B P35368 1/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
GRIN1 Q05586 1/20 0.45
GRIN2B Q13224 1/20 0.45
HTR2C P28335 1/20 0.45
HRH1 P35367 1/20 0.45
TMEM97 Q5BJF2 1/20 0.45
SIGMAR1 Q99720 1/20 0.45

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
SCHEMBL6773398 0.98 DRD3 (0.53) DRD3DRD2HTR1AHTR2ADRD1
SCHEMBL6769628 0.94 DRD2 (0.58) DRD3DRD2HTR1AHTR2ADRD4
SCHEMBL6776156 0.87 DRD3 (0.53) DRD3DRD2HTR1AHTR2ADRD1
SCHEMBL6773801 0.87 DRD3 (0.53) DRD3DRD2HTR1AHTR2ADRD1
SCHEMBL6780756 0.87 HTR1A (0.58) DRD3DRD2HTR1AHTR2ADRD1
SCHEMBL6780044 0.87 DRD3 (0.51) DRD3DRD2HTR1ADRD1DRD4
SCHEMBL6774014 0.86 DRD3 (0.55) DRD3DRD2HTR1AHTR2ADRD1
SCHEMBL6768560 0.85 DRD3 (0.70) DRD3DRD2HTR1AHTR2ADRD1
SCHEMBL6773017 0.84 DRD3 (0.52) DRD3DRD2HTR1AHTR2ADRD1
SCHEMBL6779855 0.83 DRD3 (0.50) DRD3DRD2HTR1ADRD4KDM4E

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 165/4885DRD2 34/4885HTR1A 6/4885
US-20030166926-A1 Pyrroloazepine derivatives TPH2, HTR2A, HTR2C DRD3 173/4885DRD2 34/4885HTR1A 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.