SCHEMBL6774319

SCHEMBL6774319

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

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.43
DRD3 P35462 7/20 0.41
DRD2 P14416 2/20 0.39
DRD5 P21918 2/20 0.39
HTR1A P08908 2/20 0.39
ESR1 P03372 2/20 0.38
ESRRG P62508 2/20 0.38
ESRRB O95718 1/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL6773737 0.91 DRD3 (0.42) HTR7DRD3DRD2DRD5HTR1A
SCHEMBL6780665 0.90 KDM4E (0.48) HTR7DRD3DRD2HTR1AKDM4E
SCHEMBL6773771 0.87 DRD4 (0.47) HTR7DRD3DRD2DRD5HTR1A
SCHEMBL6773540 0.81 DRD2 (0.53) HTR7DRD3DRD2DRD5HTR1A
SCHEMBL6769688 0.81 KDM4E (0.50) DRD3DRD2DRD5HTR1AKDM4E
SCHEMBL6779371 0.81 DRD3 (0.53) HTR7DRD3DRD2DRD5HTR1A
SCHEMBL6773722 0.80 DRD3 (0.41) HTR7DRD3DRD2DRD5HTR1A
SCHEMBL6769936 0.79 HTR1A (0.49) HTR7DRD3DRD2DRD5HTR1A
SCHEMBL6774649 0.79 DRD3 (0.56) HTR7DRD3DRD2DRD5HTR1A
SCHEMBL6773781 0.79 DRD3 (0.42) HTR7DRD3DRD2DRD5HTR1A

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 HTR7 39/4885DRD3 165/4885DRD2 34/4885
US-20030166926-A1 Pyrroloazepine derivatives TPH2, HTR2A, HTR2C HTR7 44/4885DRD3 173/4885DRD2 34/4885

“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.