SCHEMBL6774642

SCHEMBL6774642

O=C1CCN(CCCN2CCN(c3ccc(F)cc3)CC2)C(=O)c2ccn(-c3ccccc3)c21

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 8/20 0.49
DRD1 P21728 2/20 0.49
HTR1A P08908 5/20 0.48
DRD2 P14416 2/20 0.48
DRD5 P21918 1/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
MAPK1 P28482 1/20 0.48
HTR7 P34969 1/20 0.47
HTR2A P28223 1/20 0.46
HRH1 P35367 1/20 0.46
TMEM97 Q5BJF2 1/20 0.46
SIGMAR1 Q99720 1/20 0.46

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
SCHEMBL6619452 0.86 DRD3 (0.50) DRD3DRD1DRD2KDM4ELMNA
SCHEMBL6769590 0.86 ADRA1D (0.48) DRD3DRD1HTR1ADRD2DRD5
SCHEMBL6773017 0.84 DRD3 (0.52) DRD3DRD1HTR1ADRD2DRD5
SCHEMBL6779855 0.84 DRD3 (0.50) DRD3HTR1ADRD2DRD5KDM4E
SCHEMBL6771012 0.83 DRD3 (0.54) DRD3DRD1HTR1ADRD2DRD5
SCHEMBL6780627 0.83 DRD3 (0.48) DRD3DRD1DRD2KDM4ELMNA
SCHEMBL6772901 0.80 HTR1A (0.46) DRD3DRD1HTR1ADRD2DRD5
SCHEMBL6995879 0.80 KDM4E (0.48) DRD3HTR1ADRD2KDM4ELMNA
SCHEMBL6779824 0.80 HTR1A (0.47) DRD3HTR1ADRD2DRD5KDM4E
SCHEMBL6780422 0.79 DRD2 (0.48) DRD3HTR1ADRD2KDM4ELMNA

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 165/4885DRD1 141/4885HTR1A 6/4885
US-20030166926-A1 Pyrroloazepine derivatives TPH2, HTR2A, HTR2C DRD3 173/4885DRD1 145/4885HTR1A 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.