SCHEMBL6780078

SCHEMBL6780078

Cc1cn(Cc2ccccc2)c2c1C(=O)N(CCCN1CCN(c3ccc(O)cc3)CC1)CCC2O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.44
SLC6A2 P23975 3/20 0.40
SLC6A4 P31645 3/20 0.40
DRD3 P35462 4/20 0.39
DRD2 P14416 2/20 0.39
DRD5 P21918 2/20 0.39
HTR1A P08908 2/20 0.39
ME1 P48163 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HTR7 P34969 3/20 0.38
SIGMAR1 Q99720 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 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
SCHEMBL6774150 0.95 SLC6A2 (0.43) DRD4SLC6A2SLC6A4DRD3DRD2
SCHEMBL6770176 0.93 SLC6A2 (0.48) DRD4SLC6A2SLC6A4DRD3DRD2
SCHEMBL6775730 0.92 HTR1A (0.44) SLC6A2SLC6A4HTR1AALDH1A1HTR7
SCHEMBL6775588 0.90 DRD4 (0.43) DRD4SLC6A2SLC6A4DRD3DRD2
SCHEMBL6775526 0.89 HTR7 (0.43) DRD3DRD2DRD5HTR1AALDH1A1
SCHEMBL6773921 0.86 HTR1A (0.44) DRD4SLC6A2SLC6A4DRD3DRD2
SCHEMBL6773004 0.86 HTR7 (0.43) DRD3DRD2DRD5HTR1AALDH1A1
SCHEMBL6773622 0.84 SLC6A2 (0.42) SLC6A2SLC6A4DRD3DRD2DRD5
SCHEMBL6770050 0.84 DRD3 (0.46) DRD4DRD3DRD2DRD5HTR1A
SCHEMBL6779816 0.83 DRD4 (0.47) DRD4SLC6A2SLC6A4DRD3DRD2

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 DRD4 152/4885SLC6A2 142/4885SLC6A4 25/4885
US-20030166926-A1 Pyrroloazepine derivatives TPH2, HTR2A, HTR2C DRD4 167/4885SLC6A2 140/4885SLC6A4 24/4885

“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.