SCHEMBL6779824

SCHEMBL6779824

O=C1c2ccn(-c3ccccc3)c2C=CCN1CCCN1CCN(c2ccc(F)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.47
DRD2 P14416 2/20 0.47
DRD3 P35462 2/20 0.47
DRD5 P21918 1/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.47
HTR7 P34969 1/20 0.47
HTR2A P28223 1/20 0.45
HRH1 P35367 1/20 0.45
TMEM97 Q5BJF2 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
GRIN1 Q05586 1/20 0.44
GRIN2B Q13224 1/20 0.44

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
SCHEMBL6780826 0.94 HTR1A (0.53) HTR1ADRD2DRD3DRD5MAPK1
SCHEMBL6774186 0.90 DRD2 (0.54) HTR1ADRD2DRD3DRD5HTR7
SCHEMBL6774960 0.90 DRD3 (0.47) HTR1ADRD2DRD3DRD5LMNA
SCHEMBL6773794 0.86 KDM4E (0.47) HTR1ADRD2DRD3DRD5KDM4E
SCHEMBL6776481 0.86 ADRA1D (0.47) HTR1ADRD2DRD3DRD5KDM4E
SCHEMBL6780529 0.84 HTR1A (0.46) HTR1ADRD2DRD3DRD5KDM4E
SCHEMBL6769681 0.84 DRD3 (0.53) HTR1ADRD2DRD3DRD5HTR7
SCHEMBL6768620 0.83 KDM4E (0.45) HTR1ADRD2DRD3KDM4ELMNA
SCHEMBL6779375 0.81 DRD3 (0.50) HTR1ADRD2DRD3DRD5HTR7
SCHEMBL6773305 0.80 HTR1A (0.49) 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 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 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.