SCHEMBL6773947

SCHEMBL6773947

COC1CCN(CCCN2CCC(c3noc4cc(F)ccc34)CC2)C(=O)c2ccn(-c3ccccc3)c21

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.52
HTR2A P28223 4/20 0.52
HTR1A P08908 1/20 0.52
ACHE P22303 2/20 0.51
MCHR1 Q99705 1/20 0.51
KCNH2 Q12809 1/20 0.50
SLC6A4 P31645 1/20 0.50

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
SCHEMBL6768793 0.91 DRD2 (0.54) DRD2HTR2AHTR1AACHEMCHR1
SCHEMBL6773961 0.90 HTR6 (0.56) DRD2HTR2AHTR1AACHEKCNH2
SCHEMBL6773125 0.89 DRD2 (0.51) DRD2HTR2AHTR1AACHEMCHR1
SCHEMBL6780103 0.88 DRD2 (0.57) DRD2HTR2AHTR1AACHEKCNH2
SCHEMBL6775162 0.85 DRD2 (0.59) DRD2HTR2AHTR1AACHEMCHR1
SCHEMBL6780388 0.82 ACHE (0.57) DRD2HTR2AHTR1AACHEKCNH2
SCHEMBL6769944 0.82 DRD2 (0.54) DRD2HTR2AHTR1AACHEMCHR1
SCHEMBL8475426 0.81 DRD2 (0.53) DRD2HTR2AHTR1AACHEMCHR1
SCHEMBL6775056 0.81 ACHE (0.54) DRD2HTR2AHTR1AACHEKCNH2
SCHEMBL6770125 0.81 DRD2 (0.53) DRD2HTR2AHTR1AACHEMCHR1

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