SCHEMBL6773004

SCHEMBL6773004

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

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 4/20 0.43
DRD3 P35462 6/20 0.39
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.37
DRD2 P14416 2/20 0.37
DRD5 P21918 2/20 0.37
HTR1A P08908 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 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
SCHEMBL6775705 0.91 DRD2 (0.47) HTR7DRD3DRD2DRD5HTR1A
SCHEMBL6653693 0.91 DRD2 (0.43) ALDH1A1DRD2HTR1AGAAMAPT
SCHEMBL6780150 0.91 HTR1A (0.47) HTR7DRD3ALDH1A1DRD2DRD5
SCHEMBL6775526 0.90 HTR7 (0.43) HTR7DRD3ALDH1A1POLBDRD2
SCHEMBL6769942 0.89 DRD3 (0.41) HTR7DRD3ALDH1A1POLBDRD2
SCHEMBL6780078 0.86 DRD4 (0.44) HTR7DRD3ALDH1A1DRD2DRD5
SCHEMBL6772932 0.82 DRD3 (0.47) HTR7DRD3ALDH1A1DRD2GAA
SCHEMBL6772803 0.82 DRD3 (0.44) HTR7DRD3ALDH1A1DRD2DRD5
SCHEMBL6775127 0.81 MEN1 (0.42) HTR7ALDH1A1DRD2MAPT
SCHEMBL6774744 0.81 DRD2 (0.45) HTR7DRD3DRD2DRD5HTR1A

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 HTR7 39/4885DRD3 165/4885ALDH1A1 2580/4885
US-20030166926-A1 Pyrroloazepine derivatives TPH2, HTR2A, HTR2C HTR7 44/4885DRD3 173/4885ALDH1A1 2451/4885

“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.