SCHEMBL6780135

SCHEMBL6780135

Cn1cc2c(c1)C(=O)N(CCCCl)CCC2=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 11/20 0.34
DRD1 P21728 6/20 0.34
DRD2 P14416 4/20 0.34
GRM5 P41594 1/20 0.34
DRD4 P21917 1/20 0.34
KDM4E B2RXH2 3/20 0.33
MEN1 O00255 3/20 0.33
MAPT P10636 3/20 0.33
KMT2A Q03164 3/20 0.33
RECQL P46063 2/20 0.33
BLM P54132 2/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.32
MCL1 Q07820 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALPL P05186 1/20 0.32
ALPI P09923 1/20 0.32
ALPG P10696 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL6769602 0.81 DRD3 (0.38) DRD3DRD1DRD2GRM5DRD4
SCHEMBL3289766 0.76 DRD3 (0.47) DRD3DRD1DRD2DRD4ALDH1A1
SCHEMBL6621027 0.75 DRD3 (0.34) DRD3DRD1DRD2GRM5DRD4
SCHEMBL6996046 0.75 KDM4E (0.33) DRD3DRD1DRD2GRM5DRD4
SCHEMBL10978638 0.73 DRD3 (0.34) DRD3DRD1DRD2KDM4EMEN1
SCHEMBL6779347 0.73 DRD3 (0.52) DRD3DRD1DRD2DRD4KDM4E
SCHEMBL6773167 0.72 GRM5 (0.35) DRD3DRD1DRD2GRM5DRD4
SCHEMBL6994951 0.72 PTPN1 (0.36) DRD3DRD1DRD2GRM5DRD4
SCHEMBL9667881 0.72 GRM5 (0.43) DRD3DRD1DRD2GRM5DRD4
SCHEMBL6997957 0.72 MEN1 (0.34) MEN1KMT2ARECQLPOLB

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 8 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
US-5962448-A Pyrroloazepine derivatives SUNTORY LIMITED (JP) 1999-10-05 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 DRD3 165/4885DRD1 141/4885DRD2 34/4885
US-20030166926-A1 Pyrroloazepine derivatives TPH2, HTR2A, HTR2C DRD3 173/4885DRD1 145/4885DRD2 34/4885

“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.