SCHEMBL6779776

SCHEMBL6779776

Cn1ccc2c1C(O)CCN(CCCN1CCN(c3ccccc3F)CC1)C2=O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.45
HTR1A P08908 2/20 0.45
HTR2A P28223 2/20 0.45
HTR7 P34969 2/20 0.45
HTR6 P50406 2/20 0.45
DRD3 P35462 9/20 0.45
DRD1 P21728 5/20 0.45
SIGMAR1 Q99720 1/20 0.44
CYP2D6 P10635 2/20 0.43
DRD4 P21917 2/20 0.43
CYP1A2 P05177 1/20 0.43
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL6770817 0.87 DRD3 (0.61) DRD2HTR1AHTR7DRD3DRD1
SCHEMBL6774482 0.86 DRD3 (0.51) DRD2HTR1AHTR2AHTR7DRD3
SCHEMBL6622904 0.84 LMNA (0.46) DRD2HTR1ADRD3DRD4
SCHEMBL6622902 0.84 LMNA (0.46) DRD2HTR1ADRD3DRD4
SCHEMBL7496420 0.84 LMNA (0.46) DRD2HTR1ADRD3DRD4
SCHEMBL6774921 0.83 DRD3 (0.45) DRD2HTR1AHTR2AHTR7HTR6
SCHEMBL6769738 0.82 DRD2 (0.44) DRD2HTR1AHTR7DRD3DRD4
SCHEMBL6775033 0.82 DRD3 (0.56) DRD2HTR1AHTR2AHTR7HTR6
SCHEMBL6772803 0.81 DRD3 (0.44) DRD2HTR1AHTR2AHTR7DRD3
SCHEMBL6773249 0.80 DRD2 (0.51) DRD2HTR1AHTR2AHTR7HTR6

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 DRD2 34/4885HTR1A 6/4885HTR2A 2/4885
US-20030166926-A1 Pyrroloazepine derivatives TPH2, HTR2A, HTR2C DRD2 34/4885HTR1A 7/4885HTR2A 2/4885

“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.