SCHEMBL6772932

SCHEMBL6772932

Cc1cn(C)c2c1C(=O)N(CCCN1CCN(c3ccc(O)cc3)CC1)CCC2

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 10/20 0.47
DRD2 P14416 2/20 0.42
DRD4 P21917 1/20 0.42
HTR7 P34969 2/20 0.42
ADRA1B P35368 2/20 0.41
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
DRD1 P21728 2/20 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
SCHEMBL6772962 0.90 DRD3 (0.47) DRD3DRD2DRD4ADRA1B
SCHEMBL6774335 0.90 DRD2 (0.49) DRD3DRD2DRD4ADRA1BGAA
SCHEMBL6775829 0.90 DRD3 (0.51) DRD3DRD2DRD4HTR7ADRA1B
SCHEMBL6780129 0.89 DRD3 (0.45) DRD3DRD2DRD4HTR7ADRA1B
SCHEMBL6775163 0.88 DRD3 (0.47) DRD3DRD2DRD4ADRA1B
SCHEMBL6770050 0.85 DRD3 (0.46) DRD3DRD2DRD4HTR7ADRA1B
SCHEMBL6773004 0.82 HTR7 (0.43) DRD3DRD2HTR7ALDH1A1GAA
SCHEMBL6776156 0.81 DRD3 (0.53) DRD3DRD2DRD4DRD1
SCHEMBL6769942 0.81 DRD3 (0.41) DRD3DRD2HTR7ALDH1A1GAA
SCHEMBL6774545 0.80 HTR7 (0.42) DRD3DRD2HTR7ALDH1A1MAPT

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 34/4885DRD4 152/4885
US-20030166926-A1 Pyrroloazepine derivatives TPH2, HTR2A, HTR2C DRD3 173/4885DRD2 34/4885DRD4 167/4885

“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.