SCHEMBL6775495

SCHEMBL6775495

Cc1cn(C)c2c1C(=O)N(CCCN1CCC(c3noc4cc(F)ccc34)CC1)CC=C2

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.55
SLC6A4 P31645 1/20 0.55
ACHE P22303 2/20 0.54
HTR2A P28223 2/20 0.53
MCHR1 Q99705 1/20 0.53
KCNH2 Q12809 3/20 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
SCHEMBL6779612 0.92 DRD2 (0.54) DRD2SLC6A4ACHEHTR2AMCHR1
SCHEMBL6773418 0.89 DRD2 (0.51) DRD2SLC6A4HTR2AMCHR1KCNH2
SCHEMBL6769649 0.87 DRD2 (0.57) DRD2SLC6A4ACHEHTR2AMCHR1
SCHEMBL6775166 0.84 ACHE (0.58) DRD2SLC6A4ACHEHTR2AKCNH2
SCHEMBL6773495 0.83 ACHE (0.55) DRD2SLC6A4ACHEHTR2AKCNH2
SCHEMBL6773612 0.83 DRD2 (0.56) DRD2SLC6A4ACHEHTR2AMCHR1
SCHEMBL6775723 0.83 DRD2 (0.57) DRD2SLC6A4ACHEHTR2AMCHR1
SCHEMBL6775056 0.82 ACHE (0.54) DRD2SLC6A4ACHEHTR2AKCNH2
SCHEMBL6775217 0.81 DRD2 (0.57) DRD2SLC6A4ACHEHTR2AMCHR1
SCHEMBL7691984 0.81 ACHE (0.52) DRD2SLC6A4ACHEHTR2AMCHR1

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-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 DRD2 34/4885SLC6A4 25/4885ACHE 3150/4885
US-20030166926-A1 Pyrroloazepine derivatives TPH2, HTR2A, HTR2C DRD2 34/4885SLC6A4 24/4885ACHE 3150/4885

“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.