SCHEMBL6770176

SCHEMBL6770176

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

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.48
SLC6A4 P31645 2/20 0.48
DRD2 P14416 4/20 0.46
DRD3 P35462 3/20 0.46
DRD5 P21918 1/20 0.46
SIGMAR1 Q99720 2/20 0.46
HTR7 P34969 3/20 0.45
DRD4 P21917 7/20 0.43
HTR1A P08908 4/20 0.42
HTR2C P28335 4/20 0.42
CACNA1G O43497 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
HTR2A P28223 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40

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) SLC6A2SLC6A4DRD2DRD3DRD5
SCHEMBL6780078 0.93 DRD4 (0.44) SLC6A2SLC6A4DRD2DRD3DRD5
SCHEMBL6775730 0.92 HTR1A (0.44) SLC6A2SLC6A4HTR7HTR1AHTR2C
SCHEMBL6770330 0.90 SLC6A2 (0.47) SLC6A2SLC6A4DRD2DRD3DRD5
SCHEMBL6774744 0.90 DRD2 (0.45) SLC6A2SLC6A4DRD2DRD3DRD5
SCHEMBL6775705 0.87 DRD2 (0.47) SLC6A2SLC6A4DRD2DRD3DRD5
SCHEMBL6773921 0.86 HTR1A (0.44) SLC6A2SLC6A4DRD2DRD3DRD5
SCHEMBL6773622 0.84 SLC6A2 (0.42) SLC6A2SLC6A4DRD2DRD3DRD5
SCHEMBL6774394 0.83 DRD2 (0.51) SLC6A2SLC6A4DRD2DRD3DRD5
SCHEMBL7494590 0.83 DRD3 (0.48) SLC6A2SLC6A4DRD2DRD3DRD5

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 SLC6A2 142/4885SLC6A4 25/4885DRD2 34/4885
US-20030166926-A1 Pyrroloazepine derivatives TPH2, HTR2A, HTR2C SLC6A2 140/4885SLC6A4 24/4885DRD2 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.