SCHEMBL7959

SCHEMBL7959

Cn1nnc2[c]cccc21

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 2/20 0.48
KEAP1 Q14145 1/20 0.48
HCAR3 P49019 1/20 0.32
GRM2 Q14416 1/20 0.31

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
SCHEMBL15155876 0.77 SLC9A1 (0.56) SLC9A1HCAR3GRM2
SCHEMBL34349 0.76 POLB (0.48)
SCHEMBL10552820 0.76 TSHR (0.33)
SCHEMBL4006348 0.72 TSHR (0.41) SLC9A1GRM2
SCHEMBL5438355 0.72 ALDH1A1 (0.44)
SCHEMBL6756160 0.70
SCHEMBL1823973 0.69 GRM5 (0.34)
SCHEMBL34213 0.69
SCHEMBL3188192 0.69
SCHEMBL2207685 0.68 RAB9A (0.35) SLC9A1GRM2

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 239 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9839642-B2 Beta-tetrazolyl-propionic acids as metallo-beta-lactamase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-12-12 US claimed
US-20170173035-A1 BETA-TETRAZOLYL-PROPIONIC ACIDS AS METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-06-22 US claimed
EP-3139918-A1 BETA-TETRAZOLYL-PROPIONIC ACIDS AS METALLO-BETA-LACTAMASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-03-15 EP claimed
WO-2015171474-A1 BETA-TETRAZOLYL-PROPIONIC ACIDS AS METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-11-12 WO claimed
US-8071764-B2 Compounds of reverse turn mimetics and the use thereof (2) CHOONGWAE PHARMA CORPORATION (KR) 2011-12-06 US claimed
EP-2336131-A1 Hydantoin compounds Eisai R&D Management Co., Ltd. (JP) 2011-06-22 EP claimed
US-20100228027-A1 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (2) CHOONGWAE PHARMA CORPORATION (KR) 2010-09-09 US claimed
EP-2212328-A2 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (2) Choongwae Pharma Corporation (KR) 2010-08-04 EP claimed
US-20100113446-A1 HYDANTOIN COMPOUNDS GALLAGHER JR BRIAN M 2010-05-06 US claimed
US-7666875-B2 1,3,8-triazaspiro(4,5)decane derivatives; antiinflammatory agent for treating rheumatoid arthritis, allergic, multiple sclerosis, autoimmune disease such as inflammatory bowel disease EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-02-23 US claimed
EP-1963331-A1 AZEPINOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2008-09-03 EP claimed
EP-1888583-A2 HYDANTOIN COMPOUNDS Eisai Co., Ltd. (JP) 2008-02-20 EP claimed
WO-2007070796-A1 AZEPINOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2007-06-21 WO claimed
JP-2007513989-A 2007-05-31 JP claimed
US-7217711-B2 Piperazin-1-yl and 2-([1,4]diazepan-1-yl)-imidazo[4,5-d]-pyridazin-4-ones, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-15 US claimed
EP-1742949-A1 NOVEL-2-(PIPERAZIN-1-YL)-AND-2-([1,4]DIAZEPAN-1-YL)-IMIDAZO[4,5-D]PYRIDAZIN-4-ONE, PRODUCTION AND USE THEREOF AS MEDICAMENT FOR THE TREATMENT OF DIABETES MELLITUS Boehringer Ingelheim International GmbH (DE) 2007-01-17 EP claimed
WO-2006128143-A2 HYDANTOIN COMPOUNDS EISAI CO., LTD. (JP) 2006-11-30 WO claimed
US-20060270696-A1 Hydantoin compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-11-30 US claimed
US-20050171093-A1 New piperazin-1-yl and 2-([1,4]diazepan-1-yl)-imidazo[4,5-d]-pyridazin-4-ones, the preparation thereof and their use as pharmaceutial compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-08-04 US claimed
WO-2005058901-A1 NOVEL 2-(PIPERAZIN-1-YL)- AND 2-([1,4]DIAZEPAN-1-YL)- IMIDAZO[4,5-D]PYRIDAZIN-4-ONE, PRODUCTION AND USE THEREOF AS MEDICAMENT FOR THE TREATMENT OF DIABETES MELLITUS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-06-30 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20050171093-A1 New piperazin-1-yl and 2-([1,4]diazepan-1-yl)-imidazo[4,5-d]-pyridazin-4-ones, the preparation thereof and their use as pharmaceutial compositions DPP4, DPP3, DPP7 SLC9A1 2743/4885KEAP1 1721/4885HCAR3 2985/4885
US-20060270696-A1 Hydantoin compounds HNMT, HLA-DRB1, SSB SLC9A1 101/4885KEAP1 610/4885HCAR3 34/4885
US-20170173035-A1 BETA-TETRAZOLYL-PROPIONIC ACIDS AS METALLO-BETA-LACTAMASE INHIBITORS MGAM, CMBL, PEPD SLC9A1 1872/4885KEAP1 1807/4885HCAR3 2843/4885
US-20100228027-A1 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (2) MCL1, BID, MYADM SLC9A1 4576/4885KEAP1 3401/4885HCAR3 2974/4885
US-20100113446-A1 HYDANTOIN COMPOUNDS HNMT, HLA-DRB1, SSB SLC9A1 101/4885KEAP1 610/4885HCAR3 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.