SCHEMBL6773415

SCHEMBL6773415

COC1CCN(CCCN2CCN(c3ccc(F)cc3)CC2)C(=O)c2ccn(Cc3ccccc3)c21

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 7/20 0.45
HTR1A P08908 3/20 0.44
HTR7 P34969 1/20 0.44
HTR6 P50406 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
ABCB1 P08183 1/20 0.41
DRD2 P14416 2/20 0.41
DRD4 P21917 1/20 0.41
DRD5 P21918 1/20 0.40
TP53 P04637 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
SCHEMBL6775746 0.94 DRD3 (0.46) DRD3HTR1AHTR7ADRA1DADRA1A
SCHEMBL6769651 0.92 DRD3 (0.48) DRD3HTR1AHTR7ADRA1DADRA1A
SCHEMBL6779876 0.92 DRD3 (0.46) DRD3HTR1AHTR7ADRA1DADRA1A
SCHEMBL6781480 0.91 ADRA1D (0.43) DRD3HTR1AHTR7HTR6ADRA1D
SCHEMBL6775803 0.89 ADRA1D (0.46) DRD3HTR1AHTR7HTR6ADRA1D
SCHEMBL6775436 0.89 DRD3 (0.44) DRD3HTR7KDM4ELMNAMAPK1
SCHEMBL6769655 0.87 DRD3 (0.47) DRD3HTR1AHTR7KDM4ELMNA
SCHEMBL6773304 0.86 DRD3 (0.46) DRD3HTR7KDM4ELMNAMAPK1
SCHEMBL6775556 0.85 HTR1A (0.43) DRD3HTR1AHTR7HTR6ADRA1D
SCHEMBL6779531 0.85 DRD3 (0.48) DRD3HTR1AHTR7DRD2DRD4

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 165/4885HTR1A 6/4885HTR7 39/4885
US-20030166926-A1 Pyrroloazepine derivatives TPH2, HTR2A, HTR2C DRD3 173/4885HTR1A 7/4885HTR7 44/4885

“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.