SCHEMBL6775803

SCHEMBL6775803

O=C1c2ccn(Cc3ccccc3)c2C(O)CCN1CCCN1CCN(c2ccc(F)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
HTR1A P08908 3/20 0.44
HTR7 P34969 2/20 0.44
HTR6 P50406 1/20 0.44
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
DRD3 P35462 3/20 0.42
DRD2 P14416 2/20 0.42
DRD5 P21918 2/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 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
SCHEMBL6774934 0.94 HTR1A (0.47) ADRA1DADRA1AADRA1BHTR1AHTR7
SCHEMBL6779816 0.92 DRD4 (0.47) HTR1AHTR7DRD3DRD2DRD5
SCHEMBL6774394 0.92 DRD2 (0.51) ADRA1DADRA1AADRA1BHTR1AHTR7
SCHEMBL6773415 0.89 DRD3 (0.45) ADRA1DADRA1AADRA1BHTR1AHTR7
SCHEMBL6781480 0.88 ADRA1D (0.43) ADRA1DADRA1AADRA1BHTR1AHTR7
SCHEMBL6774449 0.87 KDM4E (0.44) HTR7KDM4ELMNAMAPK1DRD3
SCHEMBL6772901 0.86 HTR1A (0.46) HTR1AHTR7KDM4ELMNAMAPK1
SCHEMBL7496420 0.84 LMNA (0.46) HTR1AKDM4ELMNAMAPK1DRD3
SCHEMBL6622902 0.84 LMNA (0.46) HTR1AKDM4ELMNAMAPK1DRD3
SCHEMBL6622904 0.84 LMNA (0.46) HTR1AKDM4ELMNAMAPK1DRD3

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 ADRA1D 203/4885ADRA1A 143/4885ADRA1B 169/4885
US-20030166926-A1 Pyrroloazepine derivatives TPH2, HTR2A, HTR2C ADRA1D 202/4885ADRA1A 138/4885ADRA1B 166/4885

“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.