SCHEMBL6774838

SCHEMBL6774838

CCn1cc(C)c2c1C=CCN(CCCN1CCN(c3ccc(Cl)cc3)CC1)C2=O

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.46
DRD3 P35462 4/20 0.46
DRD5 P21918 3/20 0.46
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
DRD4 P21917 7/20 0.40
HTR7 P34969 4/20 0.39
HTR1A P08908 2/20 0.39
SIGMAR1 Q99720 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
SCHEMBL6779864 0.91 KDM4E (0.42) DRD2KDM4EDRD4HTR7HTR1A
SCHEMBL6781156 0.91 HTR7 (0.41) DRD2DRD3DRD5KDM4EGAA
SCHEMBL6779798 0.90 HTR1A (0.46) DRD2DRD3DRD5DRD4HTR7
SCHEMBL6779752 0.90 DRD2 (0.49) DRD2DRD3DRD5KDM4EGAA
SCHEMBL6774408 0.89 DRD2 (0.48) DRD2DRD3DRD5KDM4EDRD4
SCHEMBL6769812 0.83 HTR1A (0.44) DRD2DRD3DRD5DRD4HTR7
SCHEMBL6774045 0.83 DRD2 (0.50) DRD2DRD3DRD5KDM4EGAA
SCHEMBL6776260 0.81 DRD4 (0.45) DRD2DRD3DRD5GAADRD4
SCHEMBL6780639 0.81 HTR1A (0.45) KDM4EHTR7HTR1A
SCHEMBL6774545 0.81 HTR7 (0.42) DRD2DRD3DRD5HTR7HTR1A

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 6 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
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 DRD2 34/4885DRD3 165/4885DRD5 253/4885
US-20030166926-A1 Pyrroloazepine derivatives TPH2, HTR2A, HTR2C DRD2 34/4885DRD3 173/4885DRD5 250/4885

“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.