SCHEMBL6773139

SCHEMBL6773139

O=C(CCNC(=O)c1cc[nH]c1)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.50
CTSG P08311 1/20 0.50
CTRB1 P17538 1/20 0.50
CMA1 P23946 1/20 0.50
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
HRH4 Q9H3N8 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.43
GLA P06280 1/20 0.43
HSP90AA1 P07900 2/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42

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 0.85 PRSS1 (0.69) PRSS1CTSGCTRB1CMA1CYP1A2
SCHEMBL12913502 0.85 PRSS1 (0.64) PRSS1CTSGCTRB1CMA1CYP1A2
SCHEMBL15576223 0.81 PRSS1 (0.59) PRSS1CTSGCTRB1CMA1CYP1A2
SCHEMBL9039712 0.79 HDAC3 (0.48) PRSS1CTSGCTRB1CMA1HRH4
SCHEMBL6654443 0.78 HRH4 (0.48) PRSS1CTSGCTRB1CMA1CYP1A2
SCHEMBL6774327 0.77 CA1 (0.50) PRSS1CTSGCTRB1CMA1CYP1A2
SCHEMBL2707052 0.76 HDAC6 (0.58) ALDH1A1MAPK1KMT2AHPGDLMNA
SCHEMBL5501097 0.76 KMT2A (0.66) CYP3A4L3MBTL1ALDH1A1MAPK1GAA
SCHEMBL7906637 0.76 PRSS1 (0.52) PRSS1CTSGCTRB1CMA1CYP1A2
SCHEMBL5852695 0.75 LMNA (0.45) L3MBTL1ALDH1A1MAPK1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-10251258-A None JP 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
EP-0915881-B1 PYRROLOAZEPINE COMPOUNDS SUNTORY LTD (JP) 2003-01-08 EP 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
CN-1094126-C Pyrroloazepine compounds SUNTORY LTD (JP) 2002-11-13 CN 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-6211362-B1 CHEMICAL INTERMEDIATE FOR DRUGS SUNTORY LIMITED (JP) 2001-04-03 US disclosed
US-6187772-B1 Pyrroloazepine compounds SUNTORY LIMITED (JP) 2001-02-13 US disclosed
US-5962448-A Pyrroloazepine derivatives SUNTORY LIMITED (JP) 1999-10-05 US disclosed
CN-1219173-A Pyrroloazepine compounds SUNTORY LTD (JP) 1999-06-09 CN disclosed
EP-0915881-A1 PYRROLOAZEPINE COMPOUNDS SUNTORY LIMITED (JP) 1999-05-19 EP disclosed
WO-1998041527-A1 PYRROLOAZEPINE COMPOUNDS SUNTORY LIMITED (JP) 1998-09-24 WO disclosed
JP-H10251258-A PYRROLOAZEPINE-BASED COMPOUND SUNTORY LTD 1998-09-22 JP 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 PRSS1 607/4885CTSG 3510/4885CTRB1 4071/4885
US-20030166926-A1 Pyrroloazepine derivatives TPH2, HTR2A, HTR2C PRSS1 657/4885CTSG 3535/4885CTRB1 4046/4885

“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.