SCHEMBL6780150

SCHEMBL6780150

Cc1cn(C)c2c1C(=O)N(CCCN1CCN(c3ccccc3)CC1)CCC2O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.47
DRD2 P14416 5/20 0.47
DRD3 P35462 4/20 0.47
DRD5 P21918 1/20 0.47
HTR7 P34969 1/20 0.46
LMNA P02545 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
HTR2A P28223 1/20 0.42
KCNH2 Q12809 2/20 0.42
DRD4 P21917 2/20 0.41
GFER P55789 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
SCHEMBL6773004 0.91 HTR7 (0.43) HTR1ADRD2DRD3DRD5HTR7
SCHEMBL6775705 0.90 DRD2 (0.47) HTR1ADRD2DRD3DRD5HTR7
SCHEMBL6653693 0.90 DRD2 (0.43) HTR1ADRD2LMNAALDH1A1MAPT
SCHEMBL6773921 0.89 HTR1A (0.44) HTR1ADRD2DRD3DRD5HTR7
SCHEMBL6774150 0.88 SLC6A2 (0.43) HTR1ADRD2DRD3DRD5HTR7
SCHEMBL6770176 0.83 SLC6A2 (0.48) HTR1ADRD2DRD3DRD5HTR7
SCHEMBL6780078 0.83 DRD4 (0.44) HTR1ADRD2DRD3DRD5HTR7
SCHEMBL6775730 0.82 HTR1A (0.44) HTR1AHTR7LMNAALDH1A1HTT
SCHEMBL6774482 0.82 DRD3 (0.51) HTR1ADRD2DRD3DRD5HTR7
SCHEMBL6775526 0.81 HTR7 (0.43) HTR1ADRD2DRD3DRD5HTR7

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 8 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
US-5962448-A Pyrroloazepine derivatives SUNTORY LIMITED (JP) 1999-10-05 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 HTR1A 6/4885DRD2 34/4885DRD3 165/4885
US-20030166926-A1 Pyrroloazepine derivatives TPH2, HTR2A, HTR2C HTR1A 7/4885DRD2 34/4885DRD3 173/4885

“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.