SCHEMBL6580374

SCHEMBL6580374

O=C(c1ccccc1)N1CCC(Br)CC1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.69
EPHX1 P07099 1/20 0.63
L3MBTL3 Q96JM7 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
HPGD P15428 1/20 0.61
SIGMAR1 Q99720 1/20 0.58
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
MGLL Q99685 1/20 0.56
HSD11B1 P28845 1/20 0.56
ALDH1A1 P00352 2/20 0.54
USP2 O75604 1/20 0.54
KDM4E B2RXH2 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
GRM5 P41594 1/20 0.54
SLC18A3 Q16572 1/20 0.54
POLB P06746 1/20 0.54

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
SCHEMBL8901408 0.89 ACHE (0.60) ACHEEPHX1L3MBTL3L3MBTL1HPGD
SCHEMBL4003983 0.85 ACHE (0.73) ACHEEPHX1L3MBTL3L3MBTL1HPGD
SCHEMBL11616794 0.83 ACHE (0.71) ACHEEPHX1L3MBTL3L3MBTL1HPGD
SCHEMBL4003986 0.83 GRM5 (0.73) ACHEEPHX1L3MBTL3L3MBTL1HPGD
SCHEMBL10983933 0.83 ACHE (0.71) ACHEEPHX1L3MBTL3L3MBTL1HPGD
SCHEMBL7129676 0.82 HPGD (0.79) ACHEL3MBTL1HPGDSIGMAR1KMT2A
SCHEMBL252026 0.82 HPGD (0.79) ACHEL3MBTL1HPGDSIGMAR1KMT2A
SCHEMBL409005 0.81 ACHE (0.69) ACHEEPHX1L3MBTL3L3MBTL1HPGD
SCHEMBL8988831 0.81 ACHE (0.69) ACHEEPHX1L3MBTL3L3MBTL1HPGD
SCHEMBL1673861 0.81 MAPT (0.73) ACHEEPHX1L3MBTL3L3MBTL1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0968182-B1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY DARWIN DISCOVERY LTD (GB) 2004-05-06 EP disclosed
US-20030207889-A1 Hydroxamic and carboxylic acid derivatives having MMP and TNF inhibitory activity OWEN DAVID ALAN (GB) 2003-11-06 US disclosed
US-6566384-B1 For therapy of cancer, inflammation and inflammatory diseases, tissue degeneration, periodontal disease, ophthalmological disease, dermatological disorders, fever, cardiovascular effects, haemorrhage, coagulation and acute phase response DARWIN DISCOVERY LTD. (GB) 2003-05-20 US disclosed
US-6118001-A ANTICANCER AGENT; ANTIARTHRITIC AGENT DARWIN DISCOVERY, LTD. (GB) 2000-09-12 US disclosed
EP-0968182-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY Darwin Discovery Limited (GB) 2000-01-05 EP disclosed
CN-1227540-A Hydroxamic and carboxylic acid derivatives having MMP and TNF inhibitory activity DARWIN DISCOVERY CO LTD (GB) 1999-09-01 CN disclosed
WO-1998005635-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY DARWIN DISCOVERY LIMITED (GB) 1998-02-12 WO disclosed
US-5246946-A Antiarrhythmia agents and cardiovascular disorders EISAI CO., LTD. (JP) 1993-09-21 US disclosed
EP-0304888-B1 SULFONAMIDOLPHENYL DERIVATES AND THERAPEUTIC AND PREVENTIVE AGENTS FOR ARRYTHMIA CONTAINING SAME Eisai Co., Ltd. (JP) 1992-11-11 EP disclosed
US-5162347-A Piperidine derivatives and therapeutic and preventive agents for arrhythmia containing same EISAI CO., LTD. (JP) 1992-11-10 US disclosed
US-5082850-A PIPERIDINE DERIVATIVES AND THERAPEUTIC AND PREVENTIVE AGENTS FOR ARRHYTHMIA CONTAINING SAME EISAI CO., LTD. (JP) 1992-01-21 US disclosed
US-4977165-A Piperidine derivative and therapeutic and preventive agents for arrhythmia containing same EISAI CO., LTD. (JP) 1990-12-11 US disclosed
EP-0304888-A1 Sulfonamidolphenyl derivates and therapeutic and preventive agents for arrythmia containing same Eisai Co., Ltd. (JP) 1989-03-01 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 (1 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-20030207889-A1 Hydroxamic and carboxylic acid derivatives having MMP and TNF inhibitory activity MMP13, MMP2, MMP9 ACHE 1513/4885EPHX1 1453/4885L3MBTL3 4230/4885

“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.