SCHEMBL6780665

SCHEMBL6780665

CCn1cc2c(c1)C(=O)N(CCCN1CCN(c3ccc(F)cc3)CC1)CC=C2

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
MAPK1 P28482 1/20 0.48
DRD2 P14416 2/20 0.41
DRD3 P35462 2/20 0.41
HTR7 P34969 1/20 0.39
HTR1A P08908 1/20 0.39
DRD4 P21917 1/20 0.39

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
SCHEMBL6769688 0.91 KDM4E (0.50) KDM4ELMNAMAPK1DRD2DRD3
SCHEMBL6774319 0.90 HTR7 (0.43) KDM4ELMNAMAPK1DRD2DRD3
SCHEMBL6772928 0.87 KDM4E (0.47) KDM4ELMNAMAPK1DRD2DRD3
SCHEMBL6773737 0.81 DRD3 (0.42) KDM4ELMNAMAPK1DRD2DRD3
SCHEMBL6773540 0.81 DRD2 (0.53) KDM4EDRD2DRD3HTR7HTR1A
SCHEMBL6779371 0.81 DRD3 (0.53) DRD2DRD3HTR7HTR1ADRD4
SCHEMBL6768620 0.80 KDM4E (0.45) KDM4ELMNAMAPK1DRD2DRD3
SCHEMBL6773091 0.79 DRD3 (0.56) KDM4ELMNAMAPK1DRD2DRD3
SCHEMBL6769936 0.79 HTR1A (0.49) DRD2DRD3HTR7HTR1ADRD4
SCHEMBL6773794 0.79 KDM4E (0.47) KDM4ELMNAMAPK1DRD2DRD3

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.