SCHEMBL6774522

SCHEMBL6774522

Cn1ccc2c1C(=O)CCN(CCCN1CCN(C(c3ccccc3)c3ccccc3)CC1)C2=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.53
DRD3 P35462 5/20 0.53
ADRA1B P35368 1/20 0.53
P2RX7 Q99572 9/20 0.45
HTR2A P28223 2/20 0.45
MEN1 O00255 1/20 0.45
MLNR O43193 1/20 0.45
NR1I2 O75469 1/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
CHRM2 P08172 1/20 0.45
CYP3A4 P08684 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
CYP2D6 P10635 1/20 0.45
CHRM1 P11229 1/20 0.45
CYP2C9 P11712 1/20 0.45
PKM P14618 1/20 0.45
ADRA2C P18825 1/20 0.45
CHRM3 P20309 1/20 0.45
SLC6A2 P23975 1/20 0.45

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
SCHEMBL6771012 0.84 DRD3 (0.54) DRD2DRD3HTR2AKCNH2
SCHEMBL6774433 0.80 DRD2 (0.47) DRD2DRD3HTR2AMEN1CYP1A2
SCHEMBL6775517 0.79 DRD3 (0.50) DRD2DRD3ADRA1BP2RX7HTR2A
SCHEMBL6774089 0.78 DRD3 (0.51) DRD2DRD3HTR2A
SCHEMBL6780246 0.78 DRD3 (0.65) DRD2DRD3ADRA1BHTR2ACYP1A2
SCHEMBL6988888 0.76 DRD2 (0.57) DRD2DRD3ADRA1BP2RX7
SCHEMBL6773605 0.76 DRD3 (0.53) DRD2DRD3HTR2AGAA
SCHEMBL6619452 0.76 DRD3 (0.50) DRD2DRD3LMNA
SCHEMBL6775667 0.76 DRD3 (0.50) DRD2DRD3
SCHEMBL6994421 0.75 HTR1A (0.53) DRD2DRD3ADRA1BCHRM2CHRM1

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 DRD2 34/4885DRD3 165/4885ADRA1B 169/4885
US-20030166926-A1 Pyrroloazepine derivatives TPH2, HTR2A, HTR2C DRD2 34/4885DRD3 173/4885ADRA1B 166/4885

“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.