SCHEMBL6770802

SCHEMBL6770802

Cn1ccc2c1C(O)CCN(CCCN1CCC(Oc3ccc(F)cc3)CC1)C2=O

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.51
HTR7 P34969 4/20 0.51
ADRB2 P07550 1/20 0.39
PLA2G1B P04054 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
CCR1 P32246 1/20 0.37
CCR3 P51677 1/20 0.37
SSTR5 P35346 1/20 0.37
DRD2 P14416 1/20 0.37
FPR2 P25090 1/20 0.37
PROKR1 Q8TCW9 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
SCHEMBL6622904 0.83 LMNA (0.46) DRD2
SCHEMBL7496420 0.83 LMNA (0.46) DRD2
SCHEMBL6622902 0.83 LMNA (0.46) DRD2
SCHEMBL6773774 0.83 HTR2A (0.52) HTR2AHTR7DRD2
SCHEMBL6776361 0.82 CYP2J2 (0.39) HTR2ADRD2
SCHEMBL6769738 0.82 DRD2 (0.44) HTR7DRD2
SCHEMBL6778744 0.81 MAPT (0.40) HTR2AHTR7ADRB2DRD2
SCHEMBL6990900 0.80 HTR2A (0.52) HTR2AHTR7ADRB2PLA2G1BATG4B
SCHEMBL6770124 0.80 HTR2A (0.47) HTR2AHTR7DRD2
SCHEMBL6775248 0.79 HTR2A (0.34) HTR2AHTR7DRD2

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 HTR2A 2/4885HTR7 39/4885ADRB2 40/4885
US-20030166926-A1 Pyrroloazepine derivatives TPH2, HTR2A, HTR2C HTR2A 2/4885HTR7 44/4885ADRB2 40/4885

“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.