SCHEMBL6773788

SCHEMBL6773788

Cn1ccc2c1C(O)CCN(CCCN1CCC(c3n[nH]c4cc(F)ccc34)CC1)C2=O

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 2/20 0.41
DRD2 P14416 7/20 0.39
HTR2A P28223 6/20 0.39
HTR1A P08908 5/20 0.39
KCNH2 Q12809 3/20 0.38
HTR6 P50406 2/20 0.38
CCR3 P51677 4/20 0.37
HTR7 P34969 2/20 0.36
DRD3 P35462 1/20 0.36

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
SCHEMBL6769606 0.84 HTR1D (0.44) DRD2HTR2AHTR1AKCNH2HTR6
SCHEMBL6780388 0.84 ACHE (0.57) DRD2HTR2AHTR1AKCNH2HTR6
SCHEMBL8475113 0.78 DRD2 (0.37) DRD2HTR2AHTR1AKCNH2HTR6
SCHEMBL6622902 0.77 LMNA (0.46) DRD2HTR1ADRD3
SCHEMBL7496420 0.77 LMNA (0.46) DRD2HTR1ADRD3
SCHEMBL6622904 0.77 LMNA (0.46) DRD2HTR1ADRD3
SCHEMBL6770802 0.77 HTR2A (0.51) DRD2HTR2ACCR3HTR7
SCHEMBL6774921 0.76 DRD3 (0.45) DRD2HTR2AHTR1AHTR6HTR7
SCHEMBL6776339 0.76 DRD2 (0.57) DRD2HTR2AHTR1AKCNH2HTR6
SCHEMBL9231632 0.76 CCR3 (0.49) ADRA1DDRD2HTR2AKCNH2CCR3

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 203/4885DRD2 34/4885HTR2A 2/4885
US-20030166926-A1 Pyrroloazepine derivatives TPH2, HTR2A, HTR2C ADRA1D 202/4885DRD2 34/4885HTR2A 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.