SCHEMBL7307148

SCHEMBL7307148

[CH2]CCOCCN1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.44
LTA4H P09960 1/20 0.41
KDM4E B2RXH2 4/20 0.40
HTT P42858 2/20 0.40
SLC6A2 P23975 2/20 0.39
HRH1 P35367 2/20 0.39
CHRM2 P08172 1/20 0.39
ADRA2C P18825 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KCNH2 Q12809 1/20 0.39
CACNA1C Q13936 1/20 0.39
SCN5A Q14524 1/20 0.39
CHRM4 P08173 1/20 0.38
HTR2C P28335 1/20 0.38
HTR7 P34969 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37

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
SCHEMBL7110089 0.87 HRH3 (0.55) HRH3LTA4HKDM4EHTTSLC6A2
SCHEMBL9542003 0.85 HRH3 (0.52) HRH3LTA4HKDM4EHTTSLC6A2
SCHEMBL7887990 0.85 HRH3 (0.60) HRH3LTA4HKDM4EHTTSLC6A2
SCHEMBL10914988 0.85 HRH3 (0.52) HRH3LTA4HKDM4EHTTSLC6A2
SCHEMBL9544504 0.85 HRH3 (0.52) HRH3LTA4HKDM4EHTTSLC6A2
SCHEMBL24059343 0.85 HRH3 (0.60) HRH3LTA4HKDM4EHTTSLC6A2
SCHEMBL8361918 0.85 HRH3 (0.60) HRH3LTA4HKDM4EHTTSLC6A2
SCHEMBL16353683 0.84 KDM4E (0.42) HRH3LTA4HKDM4EHTTSLC6A2
SCHEMBL16353721 0.84 KDM4E (0.42) HRH3LTA4HKDM4EHTTSLC6A2
SCHEMBL2789672 0.83 HRH3 (0.46) HRH3LTA4HKDM4EHTTPSMB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0688786-B1 New hydrazino and hydroxyamino-14beta-hydroxyandrostane derivatives active on the cardio-vascular system, processes for their preparation and pharmaceutical compositions containing same SIGMA TAU IND FARMACEUTI (IT) 1997-08-06 EP claimed
EP-0688786-A1 New hydrazino and hydroxyamino-14beta-hydroxyandrostane derivatives active on the cardio-vascular system, processes for their preparation and pharmaceutical compositions containing same Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 1995-12-27 EP claimed
EP-3191471-B1 4,5-DIHYDROPYRAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBVIE DEUTSCHLAND (DE) 2020-03-11 EP disclosed
EP-3191471-A1 4,5-DIHYDROPYRAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AbbVie Deutschland GmbH & Co. KG (DE) 2017-07-19 EP disclosed
US-9550754-B2 4,5-dihydropyrazole derivatives, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2017-01-24 US disclosed
WO-2016038160-A1 4,5-DIHYDROPYRAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AbbVie Deutschland GmbH & Co. KG (DE) 2016-03-17 WO disclosed
US-20160075691-A1 4,5- DIHYDROPYRAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AbbVie Deutschland GmbH & Co. KG (DE) 2016-03-17 US disclosed
EP-0688786-B1 New hydrazino and hydroxyamino-14beta-hydroxyandrostane derivatives active on the cardio-vascular system, processes for their preparation and pharmaceutical compositions containing same SIGMA TAU IND FARMACEUTI (IT) 1997-08-06 EP disclosed
EP-0688786-A1 New hydrazino and hydroxyamino-14beta-hydroxyandrostane derivatives active on the cardio-vascular system, processes for their preparation and pharmaceutical compositions containing same Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 1995-12-27 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-20160075691-A1 4,5- DIHYDROPYRAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY SLC5A1, GFPT1, SULT2A1 HRH3 906/4885LTA4H 1080/4885KDM4E 2646/4885

“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.