SCHEMBL6774796

SCHEMBL6774796

Cn1ccc2c1C(O)CCN(CCN1CCN(c3ccc(F)cc3)CC1)C2=O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.42
LMNA P02545 2/20 0.42
GAA P10253 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
DRD2 P14416 8/20 0.42
HTR2A P28223 4/20 0.42
DRD4 P21917 3/20 0.41
ADRA1D P25100 2/20 0.41
ADRA1A P35348 2/20 0.41
ADRA1B P35368 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.41
HRH3 Q9Y5N1 3/20 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
SCHEMBL7496420 0.94 LMNA (0.46) HTR1ALMNAGAARXFP1DRD2
SCHEMBL6622904 0.94 LMNA (0.46) HTR1ALMNAGAARXFP1DRD2
SCHEMBL6769738 0.94 DRD2 (0.44) HTR1ALMNADRD2DRD4KDM4E
SCHEMBL6622902 0.94 LMNA (0.46) HTR1ALMNAGAARXFP1DRD2
SCHEMBL6774919 0.88 DRD2 (0.44) HTR1ALMNAGAARXFP1DRD2
SCHEMBL6772803 0.84 DRD3 (0.44) HTR1AGAADRD2HTR2A
SCHEMBL6773249 0.84 DRD2 (0.51) HTR1AGAADRD2HTR2ADRD4
SCHEMBL6774482 0.83 DRD3 (0.51) HTR1ADRD2HTR2ADRD4
SCHEMBL6774449 0.83 KDM4E (0.44) LMNADRD2DRD4KDM4EMAPK1
SCHEMBL6774921 0.82 DRD3 (0.45) HTR1ALMNADRD2HTR2ADRD4

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 HTR1A 6/4885LMNA 3275/4885GAA 4717/4885
US-20030166926-A1 Pyrroloazepine derivatives TPH2, HTR2A, HTR2C HTR1A 7/4885LMNA 3140/4885GAA 4707/4885

“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.