SCHEMBL6654443

SCHEMBL6654443

Cn1ccc(C(=O)NCCC(=O)OCc2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.48
PRSS1 P07477 2/20 0.48
CTSG P08311 1/20 0.48
CTRB1 P17538 1/20 0.48
CMA1 P23946 1/20 0.48
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HSP90AA1 P07900 2/20 0.43
MAPT P10636 2/20 0.42
RAB9A P51151 1/20 0.42
PRSS2 P07478 1/20 0.41
ELANE P08246 1/20 0.41
PRSS3 P35030 1/20 0.41
TPSAB1 Q15661 1/20 0.41
TPSD1 Q9BZJ3 1/20 0.41
TPSG1 Q9NRR2 1/20 0.41

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
SCHEMBL27441071 0.83 PRSS1 (0.69) HRH4PRSS1CTSGCTRB1CMA1
SCHEMBL12913502 0.83 PRSS1 (0.64) PRSS1CTSGCTRB1CMA1CYP1A2
SCHEMBL15576223 0.79 PRSS1 (0.59) HRH4PRSS1CTSGCTRB1CMA1
SCHEMBL6997866 0.79 RAB9A (0.66) HRH4PRSS1CYP1A2CYP3A4CYP2C19
SCHEMBL6653240 0.79 CA1 (0.48) PRSS1CTSGCTRB1CMA1CYP1A2
SCHEMBL6773139 0.78 PRSS1 (0.50) HRH4PRSS1CTSGCTRB1CMA1
SCHEMBL20201195 0.77 TDP1 (0.62) CYP3A4ALDH1A1MAPK1L3MBTL1MAPT
SCHEMBL24526798 0.76 ALDH1A1 (0.56) HRH4PRSS1CYP1A2CYP3A4CYP2C19
SCHEMBL6991219 0.75 HRH4 (0.47) HRH4PRSS1CTSGCTRB1CMA1
SCHEMBL7906637 0.74 PRSS1 (0.52) HRH4PRSS1CTSGCTRB1CMA1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1201740-C Medicine for treating intermittent claudication containing pyrroloazepine * compound DAIICHI SUNTORY LTD (JP) 2005-05-18 CN disclosed
EP-1071427-B1 INTERMITTENT CLAUDICATION THERAPEUTIC DRUGS COMPRISING PYRROLOAZEPINES DAIICHI SUNTORY PHARMA CO LTD (JP) 2004-06-23 EP disclosed
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-6288056-B1 ADMINISTERING TO TREAT ATHEROSCLEROSIS IN LEG ARTERIES SUNTORY LIMITED (JP) 2001-09-11 US disclosed
US-6258805-B1 TREATMENT OF BRAIN DISORDERS AND HYPERTENSION SUNTORY LIMITED (JP) 2001-07-10 US disclosed
CN-1297351-A Medicine for treating intermittent claudication containing pyrroloazepine * compound SUNTORY LTD (JP) 2001-05-30 CN 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 HRH4 318/4885PRSS1 607/4885CTSG 3510/4885
US-20030166926-A1 Pyrroloazepine derivatives TPH2, HTR2A, HTR2C HRH4 333/4885PRSS1 657/4885CTSG 3535/4885

“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.