SCHEMBL6773091

SCHEMBL6773091

CCn1cc2c(c1)C(=O)N(CCCN1CCN(c3ccc(F)cc3)CC1)CCC2

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 14/20 0.56
DRD2 P14416 7/20 0.48
DRD1 P21728 6/20 0.48
DRD4 P21917 2/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
MAPK1 P28482 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
SCHEMBL6774649 0.90 DRD3 (0.56) DRD3DRD2DRD1DRD4
SCHEMBL6779841 0.90 DRD3 (0.56) DRD3DRD2DRD1DRD4KDM4E
SCHEMBL6774117 0.90 DRD3 (0.60) DRD3DRD2DRD1DRD4
SCHEMBL6776218 0.89 DRD3 (0.58) DRD3DRD2DRD1DRD4KDM4E
SCHEMBL6779377 0.87 DRD3 (0.55) DRD3DRD2DRD1DRD4KDM4E
SCHEMBL6780044 0.80 DRD3 (0.51) DRD3DRD2DRD1DRD4KDM4E
SCHEMBL6773782 0.80 KDM4E (0.44) DRD3DRD2DRD4KDM4ELMNA
SCHEMBL6780665 0.79 KDM4E (0.48) DRD3DRD2DRD4KDM4ELMNA
SCHEMBL6774177 0.78 DRD3 (0.58) DRD3DRD2DRD1DRD4
SCHEMBL6773398 0.78 DRD3 (0.53) DRD3DRD2DRD1DRD4KDM4E

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 165/4885DRD2 34/4885DRD1 141/4885
US-20030166926-A1 Pyrroloazepine derivatives TPH2, HTR2A, HTR2C DRD3 173/4885DRD2 34/4885DRD1 145/4885

“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.