SCHEMBL6768554

SCHEMBL6768554

Cn1ccc2c1C(=NO)CCN(CCCN1CCN(c3ccc(F)cc3)CC1)C2=O

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.47
DRD3 P35462 7/20 0.46
DRD2 P14416 3/20 0.42
DRD4 P21917 2/20 0.41
DRD1 P21728 1/20 0.40
SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL6768552 1.00 KDM4E (0.47) KDM4ELMNAMAPK1DRD3DRD2
SCHEMBL6989849 0.92 KDM4E (0.47) KDM4ELMNAMAPK1DRD3DRD2
SCHEMBL6989852 0.92 KDM4E (0.47) KDM4ELMNAMAPK1DRD3DRD2
SCHEMBL6772866 0.91 DRD3 (0.47) DRD3DRD2DRD4DRD1
SCHEMBL6772864 0.91 DRD3 (0.47) DRD3DRD2DRD4DRD1
SCHEMBL6774887 0.90 DRD2 (0.49) KDM4EDRD3DRD2DRD4
SCHEMBL6774883 0.90 DRD2 (0.49) KDM4EDRD3DRD2DRD4
SCHEMBL6619452 0.87 DRD3 (0.50) KDM4ELMNAMAPK1DRD3DRD2
SCHEMBL6779855 0.85 DRD3 (0.50) KDM4ELMNAMAPK1DRD3DRD2
SCHEMBL6774951 0.84 KDM4E (0.48) KDM4ELMNAMAPK1DRD3DRD2

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 KDM4E 1489/4885LMNA 3275/4885MAPK1 1805/4885
US-20030166926-A1 Pyrroloazepine derivatives TPH2, HTR2A, HTR2C KDM4E 1406/4885LMNA 3140/4885MAPK1 1713/4885

“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.