SCHEMBL6774810

SCHEMBL6774810

Cn1ccc2c1C(OCc1ccccc1)CCN(CCCN1CCN(c3ccc(F)cc3)CC1)C2=O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 7/20 0.44
ABCB1 P08183 1/20 0.43
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
HTR1A P08908 4/20 0.42
HTR7 P34969 1/20 0.41
HTR6 P50406 1/20 0.41
BCHE P06276 1/20 0.41
DRD2 P14416 2/20 0.41
DRD5 P21918 1/20 0.41
HTR2A P28223 1/20 0.40
HRH1 P35367 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL6780348 0.94 DRD3 (0.46) DRD3HTR1AHTR7DRD2DRD5
SCHEMBL6773937 0.93 DRD3 (0.45) DRD3HTR1AHTR7DRD2DRD5
SCHEMBL6775525 0.92 DRD3 (0.48) DRD3HTR1AHTR7BCHEDRD2
SCHEMBL6781480 0.90 ADRA1D (0.43) DRD3ABCB1KDM4ELMNAMAPK1
SCHEMBL6775252 0.89 KDM4E (0.43) DRD3KDM4ELMNAMAPK1DRD2
SCHEMBL6773304 0.87 DRD3 (0.46) DRD3KDM4ELMNAMAPK1HTR7
SCHEMBL6780120 0.85 ABCB1 (0.42) DRD3ABCB1KDM4ELMNAMAPK1
SCHEMBL6780181 0.85 DRD3 (0.47) DRD3HTR1AHTR7DRD2DRD5
SCHEMBL6775985 0.85 DRD3 (0.46) DRD3KDM4ELMNAMAPK1HTR7
SCHEMBL6776057 0.83 DRD3 (0.50) DRD3HTR1AHTR7DRD2DRD5

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 165/4885ABCB1 1861/4885KDM4E 1489/4885
US-20030166926-A1 Pyrroloazepine derivatives TPH2, HTR2A, HTR2C DRD3 173/4885ABCB1 1805/4885KDM4E 1406/4885

“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.