SCHEMBL7501229

SCHEMBL7501229

COc1ccc(N2CCN(CCCN3CCC(OC)c4c(ccn4C)C3=O)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 6/20 0.58
HSD17B10 Q99714 1/20 0.47
DRD2 P14416 7/20 0.47
HTR2A P28223 3/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HTR1A P08908 5/20 0.46
HTR6 P50406 2/20 0.46
DRD4 P21917 3/20 0.45
DRD1 P21728 1/20 0.45
HTR7 P34969 1/20 0.44

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
SCHEMBL6769479 0.91 DRD3 (0.47) DRD3DRD2HTR1ADRD4DRD1
SCHEMBL6773304 0.90 DRD3 (0.46) DRD3DRD2HTR2ADRD4HTR7
SCHEMBL6769511 0.90 DRD3 (0.49) DRD3DRD2HTR2AHTR1AHTR6
SCHEMBL6775115 0.90 DRD3 (0.58) DRD3HSD17B10DRD2HTR2AMEN1
SCHEMBL6776057 0.90 DRD3 (0.50) DRD3DRD2HTR2AHTR1ADRD1
SCHEMBL6775985 0.89 DRD3 (0.46) DRD3DRD2HTR2ADRD4HTR7
SCHEMBL6774919 0.84 DRD2 (0.44) DRD3DRD2HTR2AHTR1ADRD4
SCHEMBL6775473 0.84 KCNH2 (0.50) DRD3DRD2HTR1ADRD1
SCHEMBL6774334 0.83 DRD3 (0.47) DRD3DRD2HTR2AHTR1ADRD4
SCHEMBL6774076 0.83 DRD3 (0.61) DRD3HSD17B10DRD2MEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 165/4885HSD17B10 2012/4885DRD2 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.