SCHEMBL6773167

SCHEMBL6773167

CCn1ccc2c1C(=O)CCN(CCCCl)C2=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 3/20 0.35
KDM4E B2RXH2 3/20 0.35
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
BLM P54132 1/20 0.35
MCL1 Q07820 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PTPN1 P18031 1/20 0.34
DRD3 P35462 8/20 0.33
DRD1 P21728 4/20 0.33
DRD2 P14416 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HSD17B10 Q99714 2/20 0.33
DRD4 P21917 1/20 0.33

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
SCHEMBL6994951 0.92 PTPN1 (0.36) GRM5ALDH1A1HPGDKDM4EMEN1
SCHEMBL6621027 0.85 DRD3 (0.34) GRM5ALDH1A1HPGDKDM4EMEN1
SCHEMBL6774193 0.84 ACHE (0.40) GRM5KMT2AL3MBTL1PTPN1DRD3
SCHEMBL6774144 0.82 DRD3 (0.36) GRM5DRD3DRD1DRD2DRD4
SCHEMBL6996046 0.80 KDM4E (0.33) GRM5ALDH1A1HPGDKDM4EMEN1
SCHEMBL6993449 0.80 ALDH1A1 (0.32) GRM5ALDH1A1HPGDKDM4EMEN1
SCHEMBL6993447 0.80 ALDH1A1 (0.32) GRM5ALDH1A1HPGDKDM4EMEN1
SCHEMBL9040855 0.79 PTPN1 (0.39) GRM5ALDH1A1HPGDKDM4EMAPT
SCHEMBL9040322 0.79 PTPN1 (0.35) ALDH1A1HPGDKDM4EMEN1MAPT
SCHEMBL9041335 0.78 PTPN1 (0.37) GRM5ALDH1A1HPGDKDM4EMAPT

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 GRM5 54/4885ALDH1A1 2580/4885HPGD 1610/4885
US-20030166926-A1 Pyrroloazepine derivatives TPH2, HTR2A, HTR2C GRM5 53/4885ALDH1A1 2451/4885HPGD 1509/4885

“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.