SCHEMBL6856944

SCHEMBL6856944

C[C@H]1CC(=O)NN=C1c1ccc(N)cc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 17/20 0.62
PDE3A Q14432 17/20 0.62
GALR3 O60755 1/20 0.60
MAPT P10636 1/20 0.60
THRB P10828 1/20 0.60
PDE4A P27815 3/20 0.59
PDE4B Q07343 3/20 0.59
PDE4C Q08493 3/20 0.59
PDE4D Q08499 3/20 0.59
TNNC1 P63316 1/20 0.55
HRH3 Q9Y5N1 2/20 0.54
KCNH2 Q12809 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
SCHEMBL934905 1.00 PDE3B (0.62) PDE3BPDE3AGALR3MAPTTHRB
SCHEMBL5681256 1.00 PDE3B (0.62) PDE3BPDE3AGALR3MAPTTHRB
Alcohol SCHEMBL22130251 0.93 PDE3B (0.59) PDE3BPDE3AGALR3MAPTTHRB
SCHEMBL10353457 0.92 PDE3B (0.71) PDE3BPDE3AGALR3MAPTTHRB
SCHEMBL8342501 0.85 PDE3B (0.64) PDE3BPDE3AGALR3MAPTTHRB
SCHEMBL10016799 0.85 PDE3B (0.64) PDE3BPDE3AGALR3MAPTTHRB
SCHEMBL9687674 0.85 PDE3B (0.64) PDE3BPDE3AGALR3MAPTTHRB
SCHEMBL22317993 0.85 PDE3B (0.64) PDE3BPDE3AGALR3MAPTTHRB
SCHEMBL11633346 0.85 PDE3B (0.64) PDE3BPDE3AGALR3MAPTTHRB
SCHEMBL992766 0.84 GALR3 (0.72) PDE3BPDE3AGALR3MAPTTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018086703-A1 DIHYDROPYRIDAZINONES SUBSTITUTED WITH PHENYLUREAS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-17 WO disclosed
US-20120165524-A1 Process for Preparing Levosimendan and Intermediates for Use in the Process CIPLA LIMITED (IN) 2012-06-28 US disclosed
US-20120165524-A1 Process for Preparing Levosimendan and Intermediates for Use in the Process CIPLA LIMITED (IN) 2012-06-28 US disclosed
WO-2011007123-A1 PROCESS FOR PREPARING LEVOSIMENDAN AND INTERMEDIATES FOR USE IN THE PROCESS CIPLA LIMITED (IN) 2011-01-20 WO disclosed
US-5246928-A Cardiovascular disorders SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-09-21 US disclosed
US-5066653-A Cardiovascular disorders; bronchodilators; phosphodiesterase inhibitors SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1991-11-19 US disclosed
CN-1009092-B The preparation method of Pyridione derivatives SMITH KLINE FRENCH LAB (GB) 1990-08-08 CN disclosed
US-4906628-A N-phenylpyridone type III phosphodiesterases SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1990-03-06 US disclosed
CN-86106546-A The preparation method of Pyridione derivatives 1987-05-20 CN disclosed
EP-0220044-A2 4(4-oxo-1,4-dihydropyridin-1-yl)phenyl derivatives SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1987-04-29 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-20120165524-A1 Process for Preparing Levosimendan and Intermediates for Use in the Process CYP3A5, HTR5A, CYP2D6 PDE3B 375/4885PDE3A 220/4885GALR3 3357/4885

“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.