SCHEMBL3604079

SCHEMBL3604079

O=c1ccc(-c2ccc(OCCCCl)cc2)n[nH]1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.66
LMNA P02545 3/20 0.60
KCNH2 Q12809 2/20 0.57
CHRM2 P08172 1/20 0.57
SLC6A2 P23975 1/20 0.57
ADRA1A P35348 1/20 0.57
HTR3A P46098 1/20 0.57
SLC6A3 Q01959 1/20 0.57
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
CYP1A2 P05177 3/20 0.51
MAPT P10636 1/20 0.50
PDE3B Q13370 4/20 0.49
PDE3A Q14432 4/20 0.49
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP2D6 P10635 1/20 0.48
CYP19A1 P11511 1/20 0.48
PDE4A P27815 3/20 0.46
PDE4B Q07343 3/20 0.46

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
SCHEMBL10196775 0.88 HRH3 (0.66) HRH3LMNAKCNH2CHRM2SLC6A2
SCHEMBL8791883 0.85 HRH3 (0.63) HRH3LMNAKCNH2CHRM2SLC6A2
Bromide SCHEMBL8110043 0.85 HRH3 (0.63) HRH3LMNAKCNH2CHRM2SLC6A2
SCHEMBL7306800 0.85 HRH3 (0.62) HRH3LMNAKCNH2CHRM2SLC6A2
SCHEMBL10963711 0.85 LMNA (0.65) HRH3LMNAKCNH2CHRM2SLC6A2
SCHEMBL9815940 0.84 MAPT (0.64) HRH3LMNAKCNH2CHRM2SLC6A2
Bromide SCHEMBL8100697 0.84 HRH3 (0.62) HRH3LMNAKCNH2CHRM2SLC6A2
SCHEMBL10969675 0.81 LMNA (0.69) HRH3LMNAKCNH2CHRM2SLC6A2
SCHEMBL10967350 0.81 LMNA (0.60) HRH3LMNAKCNH2CHRM2SLC6A2
SCHEMBL1373074 0.80 HRH3 (1.00) HRH3KCNH2CHRM2SLC6A2ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2502918-B1 Pyridazinone Derivatives CEPHALON INC (US) 2015-03-25 EP disclosed
US-20150011759-A1 PROCESSES FOR PREPARING (R)-2-METHYLPYRROLIDINE AND (S)-2-METHYLPYRROLIDINE AND TARTRATE SALTS THEREOF CEPHALON, INC. (US) 2015-01-08 US disclosed
US-20140142088-A1 PYRIDAZINONE DERIVATIVES CEPHALON, INC. (US) 2014-05-22 US disclosed
US-20140142088-A1 PYRIDAZINONE DERIVATIVES CEPHALON, INC. (US) 2014-05-22 US disclosed
US-8673916-B2 Methods of treating disorders mediated by histamine H3 receptors using pyridazinone derivatives CEPHALON, INC. (US) 2014-03-18 US disclosed
US-8673916-B2 Methods of treating disorders mediated by histamine H3 receptors using pyridazinone derivatives CEPHALON, INC. (US) 2014-03-18 US disclosed
US-8586588-B2 Aryl pyridazinone derivatives and their use as H3 receptor ligands CEPHALON, INC. (US) 2013-11-19 US disclosed
US-8586588-B2 Aryl pyridazinone derivatives and their use as H3 receptor ligands CEPHALON, INC. (US) 2013-11-19 US disclosed
EP-2069312-B1 PYRIDIZINONE DERIVATIVES CEPHALON INC (US) 2012-11-07 EP disclosed
EP-2502918-A1 Pyridizinone Derivatives Cephalon, Inc. (US) 2012-09-26 EP disclosed
US-20100273779-A1 Pyridazinone Derivatives CEPHALON, INC. (US) 2010-10-28 US disclosed
US-20100273779-A1 Pyridazinone Derivatives CEPHALON, INC. (US) 2010-10-28 US disclosed
US-20100121055-A1 PROCESSES FOR PREPARING (R)-2-METHYLPYRROLIDINE AND (S)-2-METHYLPYRROLIDINE AND TARTRATE SALTS THEREOF CEPHALON, INC. (US) 2010-05-13 US disclosed
US-20100121055-A1 PROCESSES FOR PREPARING (R)-2-METHYLPYRROLIDINE AND (S)-2-METHYLPYRROLIDINE AND TARTRATE SALTS THEREOF CEPHALON, INC. (US) 2010-05-13 US disclosed
EP-2069312-A2 PYRIDIZINONE DERIVATIVES Cephalon, Inc. (US) 2009-06-17 EP disclosed
WO-2008137087-A1 PROCESSES FOR PREPARING (R)-2-METHYLPYRROLIDINE AND (S)-2-METHYLPYRROLIDINE AND TARTRATE SALTS THEREOF CEPHALON, INC. (US) 2008-11-13 WO disclosed
WO-2008013838-A2 PYRIDIZINONE DERIVATIVES CEPHALON, INC. (US) 2008-01-31 WO disclosed
WO-2008013838-A2 PYRIDIZINONE DERIVATIVES CEPHALON, INC. (US) 2008-01-31 WO disclosed
US-20080027041-A1 Pyridizinone derivatives CEPHALON, INC. (US) 2008-01-31 US disclosed
US-20080027041-A1 Pyridizinone derivatives CEPHALON, INC. (US) 2008-01-31 US 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 (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-20150011759-A1 PROCESSES FOR PREPARING (R)-2-METHYLPYRROLIDINE AND (S)-2-METHYLPYRROLIDINE AND TARTRATE SALTS THEREOF TPMT, SPR, QDPR HRH3 1100/4885LMNA 4225/4885KCNH2 783/4885
US-20080027041-A1 Pyridizinone derivatives H1-5, H1-3, H1-4 HRH3 4/4885LMNA 1068/4885KCNH2 2381/4885
US-20100121055-A1 PROCESSES FOR PREPARING (R)-2-METHYLPYRROLIDINE AND (S)-2-METHYLPYRROLIDINE AND TARTRATE SALTS THEREOF TPMT, SPR, QDPR HRH3 1100/4885LMNA 4225/4885KCNH2 783/4885
US-20140142088-A1 PYRIDAZINONE DERIVATIVES HRH3, HNMT, HRH4 HRH3 1/4885LMNA 4710/4885KCNH2 2825/4885
US-20100273779-A1 Pyridazinone Derivatives HRH3, HNMT, HRH4 HRH3 1/4885LMNA 4668/4885KCNH2 2893/4885

“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.