SCHEMBL6773513

SCHEMBL6773513

CCn1cc(C)c2c1C(O)CCN(CCCN1CCC(c3noc4cc(F)ccc34)CC1)C2=O

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 10/20 0.54
HTR7 P34969 9/20 0.54
KCNH2 Q12809 9/20 0.54
DRD2 P14416 8/20 0.54
SLC6A4 P31645 1/20 0.54
ACHE P22303 2/20 0.53

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
SCHEMBL6773495 0.92 ACHE (0.55) HTR2AHTR7KCNH2DRD2SLC6A4
SCHEMBL6773730 0.91 DRD2 (0.53) HTR2AKCNH2DRD2SLC6A4ACHE
SCHEMBL6774143 0.91 HTR2A (0.52) HTR2AHTR7KCNH2DRD2SLC6A4
SCHEMBL6773841 0.87 ACHE (0.56) HTR2AKCNH2DRD2SLC6A4ACHE
SCHEMBL6776339 0.86 DRD2 (0.57) HTR2AHTR7KCNH2DRD2SLC6A4
SCHEMBL6775056 0.84 ACHE (0.54) HTR2AKCNH2DRD2SLC6A4ACHE
SCHEMBL6779612 0.84 DRD2 (0.54) HTR2AKCNH2DRD2SLC6A4ACHE
SCHEMBL6781643 0.83 DRD2 (0.49) HTR2AKCNH2DRD2SLC6A4
SCHEMBL6780388 0.82 ACHE (0.57) HTR2AHTR7KCNH2DRD2SLC6A4
SCHEMBL6775166 0.82 ACHE (0.58) HTR2AHTR7KCNH2DRD2SLC6A4

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 6 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
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 HTR2A 2/4885HTR7 39/4885KCNH2 387/4885
US-20030166926-A1 Pyrroloazepine derivatives TPH2, HTR2A, HTR2C HTR2A 2/4885HTR7 44/4885KCNH2 393/4885

“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.